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PDBsum entry 1m0v

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Hydrolase PDB id
1m0v
Jmol
Contents
Protein chain
130 a.a. *
Ligands
ACE-ASP-GLU-PTR-
ASP-ASP-PRO-PHE-
NH2
* Residue conservation analysis
HEADER    HYDROLASE                               14-JUN-02   1M0V
TITLE     NMR STRUCTURE OF THE TYPE III SECRETORY DOMAIN OF YERSINIA
TITLE    2 YOPH COMPLEXED WITH THE SKAP-HOM PHOSPHO-PEPTIDE N-ACETYL-
TITLE    3 DEPYDDPF-NH2
COMPND    MOL_ID: 1;
COMPND   2 MOLECULE: PROTEIN-TYROSINE PHOSPHATASE YOPH;
COMPND   3 CHAIN: A;
COMPND   4 FRAGMENT: AMINO-TERMINAL DOMAIN (RESIDUES 1-129);
COMPND   5 SYNONYM: VIRULENCE PROTEIN;
COMPND   6 EC: 3.1.3.48;
COMPND   7 ENGINEERED: YES;
COMPND   8 MOL_ID: 2;
COMPND   9 MOLECULE: SKAP55 HOMOLOGUE;
COMPND  10 CHAIN: B;
COMPND  11 SYNONYM: SKAP-HOM PEPTIDE;
COMPND  12 ENGINEERED: YES
SOURCE    MOL_ID: 1;
SOURCE   2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS;
SOURCE   3 ORGANISM_TAXID: 633;
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE   6 MOL_ID: 2;
SOURCE   7 SYNTHETIC: YES;
SOURCE   8 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED. IT
SOURCE   9 IS NATURALLY FOUND IN MUS MUSCULUS (MOUSE).
KEYWDS    HIGH RESOLUTION STRUCTURE, HYDROLASE
EXPDTA    SOLUTION NMR
NUMMDL    20
AUTHOR    P.KHANDELWAL,K.KELIIKULI,C.L.SMITH,M.A.SAPER,E.R.P.ZUIDERWEG
REVDAT   3   24-FEB-09 1M0V    1       VERSN
REVDAT   2   11-DEC-02 1M0V    1       JRNL
REVDAT   1   24-JUL-02 1M0V    0
JRNL        AUTH   P.KHANDELWAL,K.KELIIKULI,C.L.SMITH,M.A.SAPER,
JRNL        AUTH 2 E.R.P.ZUIDERWEG
JRNL        TITL   SOLUTION STRUCTURE AND PHOSPHOPEPTIDE BINDING TO
JRNL        TITL 2 THE N-TERMINAL DOMAIN OF YERSINIA YOPH: COMPARISON
JRNL        TITL 3 WITH A CRYSTAL STRUCTURE
JRNL        REF    BIOCHEMISTRY                  V.  41 11425 2002
JRNL        REFN                   ISSN 0006-2960
JRNL        PMID   12234185
JRNL        DOI    10.1021/BI026333L
REMARK   1
REMARK   1 REFERENCE 1
REMARK   1  AUTH   C.L.SMITH,P.KHANDELWAL,K.KELIIKULI,E.R.P.ZUIDERWEG,
REMARK   1  AUTH 2 M.A.SAPER
REMARK   1  TITL   STRUCTURE OF THE TYPE III SECRETION AND
REMARK   1  TITL 2 SUBSTRATE-BINDING DOMAIN OF YERSINIA YOPH
REMARK   1  TITL 3 PHOSPHATASE
REMARK   1  REF    MOL.MICROBIOL.                V.  42   967 2001
REMARK   1  REFN                   ISSN 0950-382X
REMARK   1  DOI    10.1046/J.0950-382X.2001.02711.X
REMARK   1 REFERENCE 2
REMARK   1  AUTH   P.KHANDELWAL,K.KELIIKULI,C.L.SMITH,M.A.SAPER,
REMARK   1  AUTH 2 E.R.P.ZUIDERWEG
REMARK   1  TITL   1H, 15N AND 13C ASSIGNMENTS OF THE N-TERMINAL
REMARK   1  TITL 2 DOMAIN OF YERSINIA OUTER PROTEIN H IN ITS APO FORM
REMARK   1  TITL 3 AND IN COMPLEX WITH A PHOSPHOTYROSINE PEPTIDE
REMARK   1  REF    J.BIOMOL.NMR                  V.  21    69 2001
REMARK   1  REFN                   ISSN 0925-2738
REMARK   1  DOI    10.1023/A:1011971202626
REMARK   2
REMARK   2 RESOLUTION. NOT APPLICABLE.
REMARK   3
REMARK   3 REFINEMENT.
REMARK   3   PROGRAM     : ARIA 1.0
REMARK   3   AUTHORS     : NILGES, M. AND O'DONOGHUE, S.I.
REMARK   3
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL
REMARK   3  OF 3472 RESTRAINTS, 3222 ARE NOE-DERIVED DISTANCE CONSTRAINTS,
REMARK   3  152 DIHEDRAL ANGLE RESTRAINTS, 98 DISTANCE RESTRAINTS FROM
REMARK   3  HYDROGEN BONDS.
REMARK   4
REMARK   4 1M0V COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-JUN-02.
REMARK 100 THE RCSB ID CODE IS RCSB016458.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210  EXPERIMENT TYPE                : NMR
REMARK 210  TEMPERATURE           (KELVIN) : 298
REMARK 210  PH                             : 6.5
REMARK 210  IONIC STRENGTH                 : 50 MM PHOSPHATE
REMARK 210  PRESSURE                       : AMBIENT
REMARK 210  SAMPLE CONTENTS                : 0.6 MM YOPHNT U-15N,13C
REMARK 210                                   COMPLEXED WITH 0.72 MM
REMARK 210                                   UNLABELED PEPTIDE; 50MM
REMARK 210                                   PHOSPHATE BUFFER NA
REMARK 210
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_13C-RESOLVED_NOESY, 3D_15N
REMARK 210                                   -RESOLVED_NOESY, 3D HCCH, 3D
REMARK 210                                   15N/13C FILTERED/EDITED NOESY
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ, 500 MHZ
REMARK 210  SPECTROMETER MODEL             : INOVA, AVANCE
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN, BRUKER
REMARK 210
REMARK 210  STRUCTURE DETERMINATION.
REMARK 210   SOFTWARE USED                 : NMRPIPE, XEASY, CNS
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 360
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LEAST
REMARK 210                                   RESTRAINT VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 9
REMARK 210
REMARK 210 REMARK: 15N HSQC TITRATIONS
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465   MODELS 1-20
REMARK 465     RES C SSSEQI
REMARK 465     HIS A   131
REMARK 465     HIS A   132
REMARK 465     HIS A   133
REMARK 465     HIS A   134
REMARK 465     HIS A   135
REMARK 465     HIS A   136
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE
REMARK 500   O    ASP A    89     O    VAL A   101              2.19
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500  M RES CSSEQI        PSI       PHI
REMARK 500  1 ASN A   2     -163.71   -161.36
REMARK 500  1 GLN A  18       71.44   -170.39
REMARK 500  1 GLU A  19      -38.18    170.30
REMARK 500  1 ASP A  22       82.90     59.97
REMARK 500  1 CYS A  23     -151.90   -133.97
REMARK 500  1 ARG A  28       61.35    161.20
REMARK 500  1 GLU A  36      -72.60    -48.60
REMARK 500  1 THR A  37     -103.43    -86.95
REMARK 500  1 THR A  38     -111.69    164.66
REMARK 500  1 PHE A  39     -164.61    172.54
REMARK 500  1 GLN A  40       37.60    160.34
REMARK 500  1 LEU A  42      135.03    -32.62
REMARK 500  1 THR A  43       36.08    -95.39
REMARK 500  1 SER A  46      -66.01   -101.33
REMARK 500  1 VAL A  63      -74.48    -68.38
REMARK 500  1 ASN A  65      -66.47    159.72
REMARK 500  1 VAL A  66     -127.66     48.11
REMARK 500  1 VAL A  67      -18.83   -174.54
REMARK 500  1 LEU A  68      105.05     32.81
REMARK 500  1 THR A  69     -153.42    -66.12
REMARK 500  1 LYS A  82      -74.49    -48.66
REMARK 500  1 HIS A  83      -80.04    -93.29
REMARK 500  1 ASN A  84     -161.11   -178.36
REMARK 500  1 LEU A  85       87.40     61.91
REMARK 500  1 VAL A  93     -126.01   -164.80
REMARK 500  1 ASN A  95      -56.42     66.22
REMARK 500  1 LEU A 103      -91.38    166.81
REMARK 500  1 SER A 105      157.82    102.53
REMARK 500  1 GLU A 124      -66.65    -96.06
REMARK 500  1 SER A 125      -65.86    -95.72
REMARK 500  1 ARG A 128      105.82     72.08
REMARK 500  1 PRO B 207     -163.06    -78.43
REMARK 500  2 ASN A   2      -72.30   -101.92
REMARK 500  2 LEU A   3      -75.23   -164.05
REMARK 500  2 SER A   4     -170.34    171.07
REMARK 500  2 LEU A   5      -63.26    -95.52
REMARK 500  2 GLN A  18       23.90   -140.38
REMARK 500  2 GLU A  19      -69.85   -177.69
REMARK 500  2 CYS A  23     -151.97    -76.28
REMARK 500  2 ARG A  28       54.23    169.77
REMARK 500  2 PHE A  39      -84.87    -68.45
REMARK 500  2 LEU A  42      125.75      3.94
REMARK 500  2 THR A  43       56.98    -91.20
REMARK 500  2 ILE A  44        9.26     49.55
REMARK 500  2 VAL A  63      -82.19    -75.64
REMARK 500  2 ALA A  64       -6.72     72.62
REMARK 500  2 ASN A  65      -61.52    153.46
REMARK 500  2 VAL A  66     -100.96     44.23
REMARK 500  2 VAL A  67      107.87    167.38
REMARK 500  2 LYS A  82      -70.02    -50.70
REMARK 500  2 HIS A  83       45.60   -172.00
REMARK 500  2 ASN A  86      -89.21    -60.07
REMARK 500  2 ASN A  87      -42.65     72.64
REMARK 500  2 VAL A  93      150.63    165.38
REMARK 500  2 ASN A  95       29.18     42.14
REMARK 500  2 LEU A 103       79.29    147.74
REMARK 500  2 SER A 105      179.21    148.83
REMARK 500  2 GLU A 124      -67.34    -93.83
REMARK 500  2 ALA A 127       27.46     49.65
REMARK 500  2 PRO B 207       58.84    -66.93
REMARK 500  3 ASN A   2     -163.55     44.58
REMARK 500  3 LEU A   3      -72.50    -73.23
REMARK 500  3 SER A   4     -159.21    167.73
REMARK 500  3 LEU A   5      -60.98    -95.25
REMARK 500  3 GLN A  18       57.87   -154.30
REMARK 500  3 GLU A  19      -61.80    175.89
REMARK 500  3 SER A  20      -77.85    -85.44
REMARK 500  3 ASP A  22        5.24   -177.08
REMARK 500  3 CYS A  23     -165.96    -52.65
REMARK 500  3 ARG A  28       64.59    153.81
REMARK 500  3 GLU A  36      -36.66    179.62
REMARK 500  3 THR A  37     -166.62   -100.72
REMARK 500  3 THR A  38      102.22   -168.83
REMARK 500  3 GLN A  40       65.23   -153.75
REMARK 500  3 LEU A  42     -135.23   -154.81
REMARK 500  3 THR A  43       35.28   -170.52
REMARK 500  3 ALA A  48     -169.02   -102.68
REMARK 500  3 VAL A  63       31.20    -98.66
REMARK 500  3 ALA A  64       61.73    -68.85
REMARK 500  3 ASN A  65      -73.13    142.19
REMARK 500  3 VAL A  66     -146.15     39.55
REMARK 500  3 VAL A  67      -24.02   -158.51
REMARK 500  3 LEU A  68       92.60     36.89
REMARK 500  3 LYS A  82      154.30    -37.29
REMARK 500  3 HIS A  83       90.39    -58.65
REMARK 500  3 ASN A  84      -76.79    179.94
REMARK 500  3 ASN A  87      -38.74    178.52
REMARK 500  3 VAL A  93      157.17    167.29
REMARK 500  3 ASN A  95      -56.13     70.51
REMARK 500  3 LEU A 103       70.85    132.57
REMARK 500  3 SER A 105      172.07    160.15
REMARK 500  3 ARG A 128      -70.24    -92.32
REMARK 500  3 PRO B 207      -71.27    -38.19
REMARK 500  4 ASN A   2     -164.22   -103.91
REMARK 500  4 LEU A   3      -66.64    -91.38
REMARK 500  4 SER A   4     -169.18    172.81
REMARK 500  4 LEU A   5      -65.42    -96.70
REMARK 500  4 GLN A  18      -40.53   -153.34
REMARK 500  4 ASP A  22        8.31   -176.92
REMARK 500  4 CYS A  23     -152.88    -56.49
REMARK 500  4 ARG A  28      -48.03   -142.65
REMARK 500  4 LEU A  42      174.00    -44.75
REMARK 500  4 THR A  43       46.61   -109.72
REMARK 500  4 ILE A  44       -5.33     59.94
REMARK 500  4 ARG A  49     -165.97   -115.94
REMARK 500  4 ALA A  64       36.66     29.88
REMARK 500  4 ASN A  65      -84.45    160.25
REMARK 500  4 VAL A  66     -160.56     50.97
REMARK 500  4 VAL A  67      -15.48   -147.34
REMARK 500  4 LEU A  68       95.06     29.58
REMARK 500  4 THR A  69     -161.48    -62.53
REMARK 500  4 ASN A  84      -72.25    -64.77
REMARK 500  4 VAL A  93     -122.83   -166.21
REMARK 500  4 ASN A  95      -68.66     65.26
REMARK 500  4 LEU A 103       82.55    126.74
REMARK 500  4 SER A 105      175.25    157.97
REMARK 500  4 GLU A 124      -65.61    -92.10
REMARK 500  4 ALA A 127       26.23     45.92
REMARK 500  4 PRO B 207     -177.32    -57.09
REMARK 500  5 ASN A   2     -162.78   -116.08
REMARK 500  5 SER A   4     -162.77    -60.95
REMARK 500  5 LEU A   5      -61.25    -93.50
REMARK 500  5 GLN A  18       42.25   -144.78
REMARK 500  5 GLU A  19      -69.01    173.56
REMARK 500  5 ASP A  22       30.42   -177.30
REMARK 500  5 CYS A  23     -157.96    -74.81
REMARK 500  5 ARG A  28       55.47    169.22
REMARK 500  5 GLU A  36      -77.19    -51.17
REMARK 500  5 PHE A  39     -178.77    -61.18
REMARK 500  5 GLN A  40       22.57   -171.64
REMARK 500  5 LEU A  42      178.15    -48.08
REMARK 500  5 THR A  43       57.49   -118.21
REMARK 500  5 ILE A  44      -58.76     69.93
REMARK 500  5 ALA A  45      -77.27    -18.54
REMARK 500  5 VAL A  63       55.07   -109.61
REMARK 500  5 ALA A  64       39.60    -81.04
REMARK 500  5 ASN A  65      -65.38    153.63
REMARK 500  5 VAL A  66     -171.09     42.36
REMARK 500  5 GLN A  70      -37.05    -35.42
REMARK 500  5 HIS A  83       87.73   -162.55
REMARK 500  5 ASN A  86       88.12     55.38
REMARK 500  5 VAL A  93     -131.33   -161.91
REMARK 500  5 ASN A  95       45.23    -84.81
REMARK 500  5 LEU A 103      -83.34    157.20
REMARK 500  5 SER A 105      165.96    140.04
REMARK 500  5 GLU A 124      -68.76    -93.60
REMARK 500  5 SER A 125      -65.43    -98.63
REMARK 500  5 ARG A 128       17.06   -150.33
REMARK 500  6 GLN A  18       56.86   -163.57
REMARK 500  6 GLU A  19      -63.10    176.52
REMARK 500  6 SER A  20      -80.47    -79.08
REMARK 500  6 ASP A  22      -14.98    166.46
REMARK 500  6 CYS A  23     -164.75    -42.13
REMARK 500  6 ARG A  28       56.20    140.10
REMARK 500  6 GLU A  36      -82.21    -42.93
REMARK 500  6 THR A  37     -168.79    172.00
REMARK 500  6 THR A  38      121.04     62.77
REMARK 500  6 PHE A  39      -31.67    169.15
REMARK 500  6 GLN A  40       67.99    -54.78
REMARK 500  6 THR A  43       41.31   -103.28
REMARK 500  6 ILE A  44        5.14     53.54
REMARK 500  6 ALA A  64       34.71     34.92
REMARK 500  6 ASN A  65      -81.12    163.47
REMARK 500  6 VAL A  66     -160.15     54.63
REMARK 500  6 VAL A  67      -28.02   -151.72
REMARK 500  6 LEU A  68       95.24     32.27
REMARK 500  6 THR A  69     -117.67    -66.11
REMARK 500  6 HIS A  83       44.58   -176.95
REMARK 500  6 VAL A  93     -125.76   -171.12
REMARK 500  6 LEU A 103      -90.16    161.90
REMARK 500  6 SER A 105      160.50    133.99
REMARK 500  6 GLU A 124      -65.97    -95.24
REMARK 500  6 ALA A 127      -48.87     80.18
REMARK 500  6 ARG A 128      106.75    172.38
REMARK 500  6 ASP B 206      105.88    -45.53
REMARK 500  6 PRO B 207     -177.35    -55.77
REMARK 500  7 SER A   4     -151.34    -74.00
REMARK 500  7 LEU A   5      -66.56    -95.27
REMARK 500  7 GLN A  18      -47.17   -148.83
REMARK 500  7 ASP A  22      -66.44   -170.59
REMARK 500  7 CYS A  23     -159.22     28.46
REMARK 500  7 ARG A  28       52.49    160.78
REMARK 500  7 THR A  38     -122.63    -81.84
REMARK 500  7 PHE A  39      -85.48   -176.32
REMARK 500  7 GLN A  40       88.68     56.06
REMARK 500  7 ILE A  44       -0.54     59.13
REMARK 500  7 VAL A  63       46.78   -102.41
REMARK 500  7 ASN A  65      -63.68    132.31
REMARK 500  7 VAL A  66     -137.28     42.47
REMARK 500  7 VAL A  67      -31.95   -158.89
REMARK 500  7 LEU A  68       95.67     40.85
REMARK 500  7 THR A  69     -165.38    -66.78
REMARK 500  7 ASN A  84       70.26     47.27
REMARK 500  7 VAL A  93     -137.49   -159.78
REMARK 500  7 ASN A  95      -69.83     64.32
REMARK 500  7 LEU A 103      -91.08    158.62
REMARK 500  7 SER A 105      168.22    138.90
REMARK 500  7 GLU A 124      -67.06    -97.68
REMARK 500  7 ARG A 128      -33.39   -142.53
REMARK 500  7 ASP B 206      108.05    -58.44
REMARK 500  7 PRO B 207       90.14    -64.09
REMARK 500  8 LEU A   3      -76.02    -79.88
REMARK 500  8 SER A   4     -151.72   -178.48
REMARK 500  8 LEU A   5      -64.70    -96.04
REMARK 500  8 GLN A  18       38.44   -151.94
REMARK 500  8 GLU A  19      -67.69    179.35
REMARK 500  8 ASP A  22       30.69   -175.93
REMARK 500  8 CYS A  23     -163.14    -79.22
REMARK 500  8 ARG A  28       58.67    145.86
REMARK 500  8 THR A  38      -43.17   -132.67
REMARK 500  8 PHE A  39      175.02     91.20
REMARK 500  8 GLN A  40       62.82    150.08
REMARK 500  8 LEU A  42      172.07     42.86
REMARK 500  8 ILE A  44        7.34     56.61
REMARK 500  8 ALA A  64       26.06     40.45
REMARK 500  8 ASN A  65      -68.89    149.92
REMARK 500  8 VAL A  66     -162.50     45.24
REMARK 500  8 THR A  69      166.61    -48.11
REMARK 500  8 GLN A  70      -35.02    -39.81
REMARK 500  8 HIS A  83      -91.48   -117.90
REMARK 500  8 ASN A  84       93.20    178.05
REMARK 500  8 LEU A  85     -170.35   -179.05
REMARK 500  8 ASN A  95       61.88    -62.99
REMARK 500  8 LEU A 103      -81.71    161.86
REMARK 500  8 SER A 105      164.82    129.68
REMARK 500  8 GLU A 124      -66.26    -95.68
REMARK 500  8 SER A 125      -65.50    -95.85
REMARK 500  8 ALA A 127      -33.57     84.42
REMARK 500  8 ARG A 128      108.98    166.34
REMARK 500  8 ASP B 206       97.72    175.65
REMARK 500  8 PRO B 207      168.78    -45.04
REMARK 500  9 ASN A   2     -166.81     47.29
REMARK 500  9 LEU A   3      -94.98    -95.48
REMARK 500  9 LEU A   5      -66.18    -95.51
REMARK 500  9 GLN A  18       50.40   -155.63
REMARK 500  9 GLU A  19      -66.50   -178.75
REMARK 500  9 SER A  20      -81.37    -77.27
REMARK 500  9 ASP A  22       32.08    179.94
REMARK 500  9 ARG A  28       55.31    158.75
REMARK 500  9 THR A  37     -158.12   -128.20
REMARK 500  9 GLN A  40       81.88   -160.03
REMARK 500  9 LEU A  42     -144.34   -159.71
REMARK 500  9 THR A  43       21.95   -162.19
REMARK 500  9 ALA A  48     -158.61   -138.40
REMARK 500  9 VAL A  63       59.20   -100.26
REMARK 500  9 ALA A  64       34.67    -83.40
REMARK 500  9 ASN A  65      -61.78    153.82
REMARK 500  9 VAL A  66     -163.72     40.77
REMARK 500  9 LEU A  68       98.73    -65.00
REMARK 500  9 THR A  69     -172.30    -66.92
REMARK 500  9 THR A  80      -61.82    -93.45
REMARK 500  9 HIS A  83      -78.41   -119.37
REMARK 500  9 ASN A  86       39.61    176.97
REMARK 500  9 VAL A  93      149.36    162.30
REMARK 500  9 LEU A 103      -82.30    159.45
REMARK 500  9 SER A 105      162.96    129.55
REMARK 500  9 ARG A 128      -73.88    -92.46
REMARK 500  9 PRO B 207      -74.60    -40.72
REMARK 500 10 SER A   4      175.10     40.15
REMARK 500 10 LEU A   5      -65.84    -95.93
REMARK 500 10 GLN A  18       60.18   -170.59
REMARK 500 10 GLU A  19      -58.72    177.79
REMARK 500 10 SER A  20      -79.63    -87.93
REMARK 500 10 ASP A  22        0.43     83.20
REMARK 500 10 CYS A  23     -167.03    -60.73
REMARK 500 10 THR A  37      -89.37   -128.04
REMARK 500 10 THR A  38     -105.45    166.01
REMARK 500 10 PHE A  39     -164.46    169.25
REMARK 500 10 GLN A  40       55.44    150.86
REMARK 500 10 LEU A  42     -138.83     24.28
REMARK 500 10 THR A  43       22.43   -172.64
REMARK 500 10 ALA A  48      173.46    -48.32
REMARK 500 10 VAL A  63      -78.80    -54.11
REMARK 500 10 ASN A  65      -68.22    153.10
REMARK 500 10 VAL A  66     -164.95     49.01
REMARK 500 10 VAL A  67       50.26   -152.26
REMARK 500 10 LEU A  68      103.93    -43.33
REMARK 500 10 THR A  69     -164.82    -71.67
REMARK 500 10 LYS A  82      -72.82    -57.37
REMARK 500 10 ASN A  84      106.07     57.65
REMARK 500 10 LEU A  85       97.07   -177.08
REMARK 500 10 ASN A  86       30.89    -97.45
REMARK 500 10 VAL A  93       22.40   -140.04
REMARK 500 10 LEU A 103      -89.36    154.51
REMARK 500 10 SER A 105      173.26    140.92
REMARK 500 10 GLU A 124      -68.40    -96.48
REMARK 500 10 SER A 125      -66.40    -97.24
REMARK 500 10 ARG A 128      111.35     71.05
REMARK 500 10 ASP B 206      163.98     58.37
REMARK 500 10 PRO B 207       62.83    -63.38
REMARK 500 11 ASN A   2      -90.67     41.46
REMARK 500 11 LEU A   3      -46.37   -159.69
REMARK 500 11 SER A   4      138.65    169.59
REMARK 500 11 GLN A  18       60.85   -161.66
REMARK 500 11 GLU A  19      -61.62    176.39
REMARK 500 11 SER A  20      -81.28    -78.43
REMARK 500 11 ARG A  28       53.94    171.31
REMARK 500 11 THR A  38     -115.64   -124.00
REMARK 500 11 PHE A  39      -84.81   -171.47
REMARK 500 11 GLN A  40       32.26     80.74
REMARK 500 11 LEU A  42      140.33    -25.95
REMARK 500 11 THR A  43       30.47    -99.15
REMARK 500 11 VAL A  63       60.19   -110.73
REMARK 500 11 ASN A  65      -53.08    164.95
REMARK 500 11 VAL A  66     -134.87     43.49
REMARK 500 11 VAL A  67      -31.74   -156.40
REMARK 500 11 LEU A  68       98.73     37.84
REMARK 500 11 ASN A  84       83.69    -62.46
REMARK 500 11 LEU A  85      114.80   -177.72
REMARK 500 11 VAL A  93     -133.38   -161.59
REMARK 500 11 ASN A  95      -67.57     66.67
REMARK 500 11 LEU A 103      -90.92    157.16
REMARK 500 11 SER A 105      162.25    157.94
REMARK 500 11 GLU A 124      -67.03    -96.04
REMARK 500 11 SER A 125      -66.32    -96.24
REMARK 500 11 ALA A 127      -32.15     87.31
REMARK 500 11 ARG A 128       43.17    158.64
REMARK 500 11 PRO B 207       71.44    -55.15
REMARK 500 12 SER A   4     -176.91    -59.66
REMARK 500 12 LEU A   5      -62.77    -90.72
REMARK 500 12 GLN A  18       64.47   -171.87
REMARK 500 12 GLU A  19      -59.62    174.58
REMARK 500 12 ASP A  22       12.50   -176.71
REMARK 500 12 CYS A  23     -154.08    -57.06
REMARK 500 12 ARG A  28       63.97    162.23
REMARK 500 12 LYS A  35       36.32   -154.43
REMARK 500 12 THR A  38       86.46     82.83
REMARK 500 12 THR A  43       67.43   -119.08
REMARK 500 12 ILE A  44        5.97     45.76
REMARK 500 12 ARG A  49     -159.15   -137.82
REMARK 500 12 ALA A  64       28.67     42.82
REMARK 500 12 ASN A  65      -75.97    157.37
REMARK 500 12 VAL A  66     -139.25     46.52
REMARK 500 12 VAL A  67      -20.84   -158.05
REMARK 500 12 LEU A  68       90.13     36.68
REMARK 500 12 THR A  69     -173.69    -67.18
REMARK 500 12 ASN A  84      -89.74     36.53
REMARK 500 12 LEU A  85     -140.91     75.31
REMARK 500 12 ASN A  86       35.76     89.31
REMARK 500 12 VAL A  93      151.05    166.18
REMARK 500 12 ASN A  95      -46.96     74.02
REMARK 500 12 LEU A 103      -45.41    168.99
REMARK 500 12 ARG A 104       81.25     16.10
REMARK 500 12 SER A 105     -166.43     86.02
REMARK 500 12 ALA A 127       28.03     49.22
REMARK 500 13 LEU A   3      -99.29    -85.49
REMARK 500 13 GLN A  18       25.12   -141.88
REMARK 500 13 GLU A  19      -69.93    179.73
REMARK 500 13 ASP A  22        9.04   -166.57
REMARK 500 13 CYS A  23     -171.26    -53.72
REMARK 500 13 ARG A  28       57.28    171.12
REMARK 500 13 GLN A  40       36.28    165.63
REMARK 500 13 LEU A  42      139.51    -21.00
REMARK 500 13 VAL A  63      -80.15    -74.20
REMARK 500 13 ALA A  64      -26.02     75.21
REMARK 500 13 ASN A  65      -51.99   -170.03
REMARK 500 13 VAL A  66     -139.72     46.56
REMARK 500 13 VAL A  67      -24.85   -153.47
REMARK 500 13 LEU A  68       98.42     34.07
REMARK 500 13 THR A  69     -122.94    -60.66
REMARK 500 13 HIS A  83      -57.54   -179.23
REMARK 500 13 ASN A  84       75.88   -101.08
REMARK 500 13 ASN A  86       37.39   -173.39
REMARK 500 13 ASN A  87      -52.33   -125.77
REMARK 500 13 VAL A  93     -130.57   -163.36
REMARK 500 13 ASN A  95      -70.13     64.57
REMARK 500 13 LEU A 103      -89.73    161.50
REMARK 500 13 SER A 105      156.65    116.64
REMARK 500 13 GLU A 124      -66.24    -95.11
REMARK 500 13 SER A 125      -65.49    -96.03
REMARK 500 13 ALA A 127      -27.83     92.87
REMARK 500 13 ARG A 128      120.75    153.49
REMARK 500 13 PRO B 207      -75.21    -59.02
REMARK 500 14 ASN A   2     -147.71     36.97
REMARK 500 14 SER A   4     -166.60     72.79
REMARK 500 14 LEU A   5      -64.89    -95.51
REMARK 500 14 GLN A  18       62.53   -170.48
REMARK 500 14 GLU A  19      -60.11    173.12
REMARK 500 14 ASP A  22       97.05     53.77
REMARK 500 14 CYS A  23     -161.25   -161.82
REMARK 500 14 ARG A  28       58.37    169.01
REMARK 500 14 GLN A  40       69.85     21.09
REMARK 500 14 LEU A  42     -156.93    -85.06
REMARK 500 14 THR A  43       31.67   -155.93
REMARK 500 14 ILE A  44        5.17     54.23
REMARK 500 14 ALA A  64       36.94    -84.16
REMARK 500 14 ASN A  65      -62.99    156.80
REMARK 500 14 VAL A  66     -147.91     40.73
REMARK 500 14 VAL A  67      -25.88   -149.62
REMARK 500 14 LEU A  68       88.94     32.75
REMARK 500 14 THR A  69     -169.77    -75.13
REMARK 500 14 HIS A  83       55.40   -174.53
REMARK 500 14 ASN A  84     -168.70     61.13
REMARK 500 14 LEU A  85      141.96     76.10
REMARK 500 14 ASN A  86       88.85   -152.91
REMARK 500 14 VAL A  93     -120.03   -177.22
REMARK 500 14 ASN A  95       34.11     38.61
REMARK 500 14 LEU A 103      -88.13    155.13
REMARK 500 14 SER A 105      176.32    144.43
REMARK 500 14 ALA A 127       28.87     48.42
REMARK 500 14 ARG A 128      -71.67   -101.65
REMARK 500 14 PRO B 207      -77.25    -55.61
REMARK 500 15 ASN A   2     -154.04   -127.19
REMARK 500 15 LEU A   3      -79.69    -71.39
REMARK 500 15 SER A   4     -166.43   -165.54
REMARK 500 15 LEU A   5      -66.36    -95.68
REMARK 500 15 GLN A  18       37.15   -150.12
REMARK 500 15 GLU A  19      -66.79    168.33
REMARK 500 15 CYS A  23     -165.79    -70.21
REMARK 500 15 ARG A  28       51.71    165.08
REMARK 500 15 THR A  38       96.13     60.58
REMARK 500 15 GLN A  40      -56.31   -149.75
REMARK 500 15 THR A  43       40.90   -108.67
REMARK 500 15 ILE A  44        0.89     55.10
REMARK 500 15 ALA A  48     -167.42    -67.67
REMARK 500 15 ALA A  64       36.17     37.82
REMARK 500 15 ASN A  65      -80.44    154.97
REMARK 500 15 VAL A  66     -154.41     45.38
REMARK 500 15 VAL A  67       69.34   -163.98
REMARK 500 15 LEU A  68      107.00    -53.39
REMARK 500 15 HIS A  83      -85.90    -80.32
REMARK 500 15 ASN A  84      -73.69    179.38
REMARK 500 15 LEU A  85     -171.33    -55.77
REMARK 500 15 ASN A  87      -47.71   -133.37
REMARK 500 15 VAL A  93     -130.83   -158.34
REMARK 500 15 LEU A 103       74.72    136.21
REMARK 500 15 SER A 105      163.49    153.35
REMARK 500 15 SER A 125      -60.35    -96.22
REMARK 500 15 ARG A 128      -70.76    -95.87
REMARK 500 16 ASN A   2     -157.66   -130.36
REMARK 500 16 LEU A   3      -80.47    -84.95
REMARK 500 16 SER A   4      154.33    171.30
REMARK 500 16 GLN A  18       57.43   -162.42
REMARK 500 16 GLU A  19      -60.71    178.64
REMARK 500 16 SER A  20      -78.86    -85.89
REMARK 500 16 ASP A  22        6.08    167.43
REMARK 500 16 CYS A  23     -164.75    -51.76
REMARK 500 16 ARG A  28       52.08    161.50
REMARK 500 16 THR A  37     -161.24   -103.33
REMARK 500 16 THR A  38      -35.99   -132.83
REMARK 500 16 PHE A  39      172.82     74.25
REMARK 500 16 GLN A  40       37.52    169.36
REMARK 500 16 LEU A  42      138.68    -24.17
REMARK 500 16 VAL A  63      -80.39    -71.47
REMARK 500 16 ALA A  64       -6.11     67.12
REMARK 500 16 ASN A  65      -56.20    175.35
REMARK 500 16 VAL A  66     -157.68     42.94
REMARK 500 16 VAL A  67       89.66   -161.53
REMARK 500 16 LYS A  82      -75.66    -53.07
REMARK 500 16 HIS A  83       45.93   -103.94
REMARK 500 16 ASN A  84      101.03     57.70
REMARK 500 16 ASN A  95       30.99     74.94
REMARK 500 16 LEU A 103       72.41    126.13
REMARK 500 16 GLU A 124      -66.51    -95.35
REMARK 500 16 SER A 125      -65.46    -96.23
REMARK 500 16 ALA A 127      -27.47     92.72
REMARK 500 16 ARG A 128      120.92    151.41
REMARK 500 16 PRO B 207      156.81    -46.90
REMARK 500 17 ASN A   2     -162.86     44.87
REMARK 500 17 LEU A   3      -95.69    -88.51
REMARK 500 17 GLN A  18       32.22   -145.14
REMARK 500 17 GLU A  19      -71.95    175.46
REMARK 500 17 CYS A  23     -167.49    -61.78
REMARK 500 17 ARG A  28       64.23    165.42
REMARK 500 17 PHE A  39     -175.85    -62.64
REMARK 500 17 GLN A  40       44.56    160.94
REMARK 500 17 LEU A  42     -155.12   -125.90
REMARK 500 17 SER A  46      -66.64    -93.59
REMARK 500 17 ALA A  64       26.10     40.19
REMARK 500 17 ASN A  65      -74.38    163.78
REMARK 500 17 VAL A  66     -165.90     44.02
REMARK 500 17 LEU A  68      101.40    -49.21
REMARK 500 17 THR A  69     -166.78    -60.99
REMARK 500 17 HIS A  83       81.44    169.60
REMARK 500 17 ASN A  86      -92.31     58.08
REMARK 500 17 ASN A  87      -47.42     74.07
REMARK 500 17 LEU A 103      -90.96    156.17
REMARK 500 17 SER A 105      170.95    153.18
REMARK 500 17 GLU A 124      -66.52    -95.75
REMARK 500 17 SER A 125      -65.95    -95.59
REMARK 500 17 ALA A 127       24.70     47.95
REMARK 500 17 PRO B 207      -74.39    -51.88
REMARK 500 18 ASN A   2     -150.41   -125.07
REMARK 500 18 LEU A   3      -81.83   -106.85
REMARK 500 18 SER A   4     -162.27   -178.23
REMARK 500 18 LEU A   5      -65.20    -95.38
REMARK 500 18 GLN A  18       42.38   -152.92
REMARK 500 18 GLU A  19      -69.54    177.56
REMARK 500 18 SER A  20      -81.50    -70.62
REMARK 500 18 ASP A  22       28.18    169.64
REMARK 500 18 CYS A  23     -156.34    -80.74
REMARK 500 18 ARG A  28       55.84    143.34
REMARK 500 18 LEU A  42     -159.53   -113.20
REMARK 500 18 ALA A  64       32.21     36.78
REMARK 500 18 ASN A  65      -79.47    155.29
REMARK 500 18 VAL A  66     -155.90     46.68
REMARK 500 18 VAL A  67       60.96   -172.93
REMARK 500 18 LEU A  68       99.05    -42.62
REMARK 500 18 HIS A  83       94.22   -161.19
REMARK 500 18 ASN A  84     -172.51     48.94
REMARK 500 18 ASN A  86      -89.08    -66.31
REMARK 500 18 ASN A  87        7.96   -179.82
REMARK 500 18 VAL A  93      151.68    168.57
REMARK 500 18 ASN A  95      -51.15     72.62
REMARK 500 18 LEU A 103      -69.48    166.14
REMARK 500 18 ARG A 104       56.18     35.14
REMARK 500 18 SER A 105      167.98    105.27
REMARK 500 18 GLU A 124      -69.74    -96.17
REMARK 500 18 SER A 125      -66.84    -99.53
REMARK 500 18 ALA A 127      -54.20   -177.54
REMARK 500 18 ARG A 128       36.57    168.77
REMARK 500 18 ASP B 206      159.46     54.34
REMARK 500 18 PRO B 207     -165.45    -60.26
REMARK 500 19 LEU A   3      -81.56    -68.87
REMARK 500 19 SER A   4     -156.11   -170.12
REMARK 500 19 LEU A   5      -66.31    -95.71
REMARK 500 19 GLN A  18       63.33   -165.99
REMARK 500 19 GLU A  19      -57.72    175.53
REMARK 500 19 ASP A  22       88.70     58.77
REMARK 500 19 ARG A  28       55.76    162.33
REMARK 500 19 THR A  37     -106.44   -122.51
REMARK 500 19 THR A  38      -49.10   -174.44
REMARK 500 19 PHE A  39      122.38     45.10
REMARK 500 19 LEU A  42     -166.58    -49.41
REMARK 500 19 ALA A  64       28.66     40.36
REMARK 500 19 ASN A  65      -80.26    159.19
REMARK 500 19 VAL A  66     -158.85     49.98
REMARK 500 19 VAL A  67       87.28   -163.92
REMARK 500 19 GLN A  70      -39.06    -34.67
REMARK 500 19 HIS A  83       44.80   -179.90
REMARK 500 19 ASN A  84     -177.20   -172.70
REMARK 500 19 VAL A  93      141.42    167.07
REMARK 500 19 LEU A 103       67.21    144.19
REMARK 500 19 SER A 105      160.32    159.02
REMARK 500 19 GLU A 124      -68.38    -96.42
REMARK 500 19 SER A 125      -66.00    -96.89
REMARK 500 19 ALA A 127      -39.20     86.55
REMARK 500 19 ARG A 128       45.58    165.12
REMARK 500 19 PRO B 207      179.04    -48.83
REMARK 500 20 ASN A   2     -162.98   -104.98
REMARK 500 20 LEU A   3     -172.84    -68.89
REMARK 500 20 GLN A  18       61.65   -158.84
REMARK 500 20 GLU A  19      -44.59    169.87
REMARK 500 20 ASP A  22       21.77   -173.55
REMARK 500 20 CYS A  23     -156.81    -61.09
REMARK 500 20 ARG A  28       50.16    144.97
REMARK 500 20 THR A  37      -78.94   -137.04
REMARK 500 20 THR A  38      -41.95    176.03
REMARK 500 20 PHE A  39      135.68     59.52
REMARK 500 20 GLN A  40       76.61   -169.41
REMARK 500 20 LEU A  42     -141.77   -159.01
REMARK 500 20 THR A  43       25.62   -162.72
REMARK 500 20 ARG A  49     -177.18    -68.14
REMARK 500 20 ALA A  64       91.23    -65.64
REMARK 500 20 ASN A  65      -61.11     93.28
REMARK 500 20 VAL A  66     -140.08     39.03
REMARK 500 20 VAL A  67       67.42   -175.62
REMARK 500 20 GLN A  70      -37.42    -37.34
REMARK 500 20 HIS A  83      163.58    175.36
REMARK 500 20 ASN A  84     -173.84     61.99
REMARK 500 20 VAL A  93     -124.68   -166.62
REMARK 500 20 LEU A 103       59.66    147.70
REMARK 500 20 GLU A 124      -66.62    -95.32
REMARK 500 20 SER A 125      -65.32    -96.07
REMARK 500 20 ALA A 127       32.44     74.55
REMARK 500 20 ARG A 128      112.92     77.68
REMARK 500 20 ASP B 206      175.63     49.87
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 B 209
DBREF  1M0V A    1   129  UNP    P08538   YOPH_YERPS       1    129
DBREF  1M0V B  202   208  GB     13277602 AAH03711        73     79
SEQADV 1M0V SER A  130  UNP  P08538              EXPRESSION TAG
SEQADV 1M0V HIS A  131  UNP  P08538              EXPRESSION TAG
SEQADV 1M0V HIS A  132  UNP  P08538              EXPRESSION TAG
SEQADV 1M0V HIS A  133  UNP  P08538              EXPRESSION TAG
SEQADV 1M0V HIS A  134  UNP  P08538              EXPRESSION TAG
SEQADV 1M0V HIS A  135  UNP  P08538              EXPRESSION TAG
SEQADV 1M0V HIS A  136  UNP  P08538              EXPRESSION TAG
SEQADV 1M0V PTR B  204  GB   13277602  TYR    75 MODIFIED RESIDUE
SEQRES   1 A  136  MET ASN LEU SER LEU SER ASP LEU HIS ARG GLN VAL SER
SEQRES   2 A  136  ARG LEU VAL GLN GLN GLU SER GLY ASP CYS THR GLY LYS
SEQRES   3 A  136  LEU ARG GLY ASN VAL ALA ALA ASN LYS GLU THR THR PHE
SEQRES   4 A  136  GLN GLY LEU THR ILE ALA SER GLY ALA ARG GLU SER GLU
SEQRES   5 A  136  LYS VAL PHE ALA GLN THR VAL LEU SER HIS VAL ALA ASN
SEQRES   6 A  136  VAL VAL LEU THR GLN GLU ASP THR ALA LYS LEU LEU GLN
SEQRES   7 A  136  SER THR VAL LYS HIS ASN LEU ASN ASN TYR ASP LEU ARG
SEQRES   8 A  136  SER VAL GLY ASN GLY ASN SER VAL LEU VAL SER LEU ARG
SEQRES   9 A  136  SER ASP GLN MET THR LEU GLN ASP ALA LYS VAL LEU LEU
SEQRES  10 A  136  GLU ALA ALA LEU ARG GLN GLU SER GLY ALA ARG GLY SER
SEQRES  11 A  136  HIS HIS HIS HIS HIS HIS
SEQRES   1 B    9  ACE ASP GLU PTR ASP ASP PRO PHE NH2
MODRES 1M0V PTR B  204  TYR  O-PHOSPHOTYROSINE
HET    ACE  B 201       6
HET    PTR  B 204      24
HET    NH2  B 209       3
HETNAM     ACE ACETYL GROUP
HETNAM     PTR O-PHOSPHOTYROSINE
HETNAM     NH2 AMINO GROUP
HETSYN     PTR PHOSPHONOTYROSINE
FORMUL   2  ACE    C2 H4 O
FORMUL   2  PTR    C9 H12 N O6 P
FORMUL   2  NH2    H2 N
HELIX    1   1 SER A    4  GLN A   17  1                                  14
HELIX    2   2 ARG A   49  ALA A   64  1                                  16
HELIX    3   3 THR A   69  HIS A   83  1                                  15
HELIX    4   4 THR A  109  GLU A  124  1                                  16
SHEET    1   A 2 THR A  24  LEU A  27  0
SHEET    2   A 2 VAL A  31  ASN A  34 -1  O  ASN A  34   N  THR A  24
SHEET    1   B 2 TYR A  88  VAL A  93  0
SHEET    2   B 2 ASN A  97  SER A 102 -1  O  VAL A  99   N  ARG A  91
LINK         C   ACE B 201                 N   ASP B 202     1555   1555  1.33
LINK         C   GLU B 203                 N   PTR B 204     1555   1555  1.33
LINK         C   PTR B 204                 N   ASP B 205     1555   1555  1.33
LINK         C   PHE B 208                 N   NH2 B 209     1555   1555  1.33
SITE     1 AC2  1 PHE B 208
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1
ORIGX1      1.000000  0.000000  0.000000        0.00000
ORIGX2      0.000000  1.000000  0.000000        0.00000
ORIGX3      0.000000  0.000000  1.000000        0.00000
SCALE1      1.000000  0.000000  0.000000        0.00000
SCALE2      0.000000  1.000000  0.000000        0.00000
SCALE3      0.000000  0.000000  1.000000        0.00000
      
PROCHECK
Go to PROCHECK summary
 References