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PDBsum entry 2kz5

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Transcription PDB id
2kz5
Jmol
Contents
Protein chain
91 a.a.
HEADER    TRANSCRIPTION                           11-JUN-10   2KZ5
TITLE     SOLUTION NMR STRUCTURE OF TRANSCRIPTION FACTOR NF-E2 SUBUNIT'S DNA
TITLE    2 BINDING DOMAIN FROM HOMO SAPIENS, NORTHEAST STRUCTURAL GENOMICS
TITLE    3 CONSORTIUM TARGET HR4653B
COMPND    MOL_ID: 1;
COMPND   2 MOLECULE: TRANSCRIPTION FACTOR NF-E2 45 KDA SUBUNIT;
COMPND   3 CHAIN: A;
COMPND   4 FRAGMENT: SEQUENCE DATABASE RESIDUES 214-293;
COMPND   5 SYNONYM: NUCLEAR FACTOR, ERYTHROID-DERIVED 2 45 KDA SUBUNIT, P45 NF-
COMPND   6 E2, LEUCINE ZIPPER PROTEIN NF-E2;
COMPND   7 ENGINEERED: YES
SOURCE    MOL_ID: 1;
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE   3 ORGANISM_COMMON: HUMAN;
SOURCE   4 ORGANISM_TAXID: 9606;
SOURCE   5 GENE: NFE2;
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PMGK;
SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET 14-15C
KEYWDS    STRUCTURAL GENOMICS, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG),
KEYWDS   2 PSI-2, PROTEIN STRUCTURE INITIATIVE, TRANSCRIPTION
EXPDTA    SOLUTION NMR
NUMMDL    20
AUTHOR    G.LIU,H.JANJUA,R.XIAO,C.CICCOSANTI,R.SHASTRY,T.B.ACTON,S.TONG,
AUTHOR   2 J.K.EVERETT,G.T.MONTELIONE,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM
AUTHOR   3 (NESG)
REVDAT   2   10-NOV-10 2KZ5    1       AUTHOR JRNL   TITLE
REVDAT   1   07-JUL-10 2KZ5    0
JRNL        AUTH   G.LIU,H.JANJUA,R.XIAO,C.CICCOSANTI,R.SHASTRY,T.B.ACTON,
JRNL        AUTH 2 S.TONG,J.K.EVERETT,G.T.MONTELIONE
JRNL        TITL   NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET HR4653B
JRNL        REF    TO BE PUBLISHED
JRNL        REFN
REMARK   2
REMARK   2 RESOLUTION. NOT APPLICABLE.
REMARK   3
REMARK   3 REFINEMENT.
REMARK   3   PROGRAM     : CNS, CYANA 3.0
REMARK   3   AUTHORS     : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ (CNS)
REMARK   3                 , GUNTERT, MUMENTHALER AND WUTHRICH (CYANA)
REMARK   3
REMARK   3  OTHER REFINEMENT REMARKS: NULL
REMARK   4
REMARK   4 2KZ5 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-JUN-10.
REMARK 100 THE RCSB ID CODE IS RCSB101755.
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                 : NULL
REMARK 210  PRESSURE                       : AMBIENT
REMARK 210  SAMPLE CONTENTS                : 1.0 MM [U-100% 13C; U-100% 15N]
REMARK 210                                   HR4653B, 95% H2O/5% D2O; 1.1 MM
REMARK 210                                   [U-10% 13C; U-100% 15N] HR4653B,
REMARK 210                                   95% H2O/5% D2O
REMARK 210
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-13C HSQC;
REMARK 210                                   3D HNCO; 3D CBCA(CO)NH; 3D
REMARK 210                                   HNCACB; 3D 1H-13C AROM NOESY; 3D
REMARK 210                                   SIMUTANEOUS 13C-AROMATIC,13C-
REMARK 210                                   ALIPHATIC,15N EDITED 1H-1H NOESY;
REMARK 210                                   3D C(CO)NH
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ; 600 MHZ
REMARK 210  SPECTROMETER MODEL             : AVANCE; INOVA
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER; VARIAN
REMARK 210
REMARK 210  STRUCTURE DETERMINATION.
REMARK 210   SOFTWARE USED                 : CNS, CYANA 3.0, AUTOSTRUCTURE
REMARK 210                                   2.1, AUTOASSIGN 2.1, NMRPIPE,
REMARK 210                                   XEASY, TOPSPIN, VNMRJ, PINE,
REMARK 210                                   SPARKY, TALOS+, PALES, REDCAT
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY, SIMULATED
REMARK 210                                   ANNEALING, MOLECULAR DYNAMICS,
REMARK 210                                   TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NULL
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 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000
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 LYS A  32       62.92     62.68
REMARK 500  1 PRO A  56       83.85    -67.62
REMARK 500  1 GLU A  87       96.90    -52.21
REMARK 500  2 ALA A  20      142.22    179.16
REMARK 500  3 LYS A  32       74.53     56.64
REMARK 500  3 PRO A  34       24.96    -76.45
REMARK 500  3 GLU A  87       95.97    -64.90
REMARK 500  3 ILE A  89      103.23    -58.46
REMARK 500  4 HIS A   6      130.50   -172.17
REMARK 500  4 LYS A  32       63.66     76.32
REMARK 500  4 PRO A  44     -178.56    -68.45
REMARK 500  5 HIS A   7       94.99    -69.47
REMARK 500  5 SER A   9       91.71    -62.72
REMARK 500  5 LYS A  13      132.19     68.52
REMARK 500  5 LYS A  32       71.90     58.90
REMARK 500  5 PRO A  34       25.58    -79.94
REMARK 500  5 PRO A  56       43.65    -77.85
REMARK 500  5 GLU A  87       92.12    -66.95
REMARK 500  6 ALA A  12       83.60     69.24
REMARK 500  6 LYS A  32       72.16     63.84
REMARK 500  6 PRO A  56       81.57    -66.39
REMARK 500  6 ASN A  80       27.76   -145.97
REMARK 500  7 SER A   9      105.92   -169.08
REMARK 500  7 LYS A  13       79.92     62.36
REMARK 500  7 THR A  15       97.33    -61.09
REMARK 500  7 LYS A  32       78.01     61.71
REMARK 500  7 PRO A  56       42.49    -75.87
REMARK 500  7 ARG A  82       64.56     67.66
REMARK 500  8 LYS A  32       93.94     66.34
REMARK 500  8 LEU A  86       85.90    -66.46
REMARK 500  9 HIS A   6      -80.30   -108.83
REMARK 500  9 HIS A  10       21.15   -154.46
REMARK 500  9 LYS A  32       74.20     53.65
REMARK 500  9 VAL A  76       33.01    -91.39
REMARK 500  9 LYS A  83       -0.76     68.87
REMARK 500  9 LEU A  86     -179.93    -67.02
REMARK 500  9 ILE A  89       99.26    -66.08
REMARK 500 10 HIS A   7      119.00   -161.17
REMARK 500 10 LYS A  32       84.10     64.60
REMARK 500 10 PRO A  34       24.85    -76.35
REMARK 500 10 PRO A  56       89.61    -67.47
REMARK 500 11 THR A  15      -72.43   -135.23
REMARK 500 11 ALA A  16      102.54    -57.56
REMARK 500 11 LEU A  86       71.61   -101.07
REMARK 500 12 HIS A   4       98.20    -69.12
REMARK 500 12 HIS A  10      119.89   -165.14
REMARK 500 12 SER A  22      153.07    177.75
REMARK 500 12 GLU A  87     -164.07    -76.46
REMARK 500 13 HIS A  10      -69.66    -93.05
REMARK 500 13 LYS A  13      137.36     65.21
REMARK 500
REMARK 500 THIS ENTRY HAS      81 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 16998   RELATED DB: BMRB
REMARK 900 RELATED ID: HR4653B   RELATED DB: TARGETDB
DBREF  2KZ5 A   12    91  UNP    Q16621   NFE2_HUMAN     214    293
SEQADV 2KZ5 MET A    1  UNP  Q16621              EXPRESSION TAG
SEQADV 2KZ5 GLY A    2  UNP  Q16621              EXPRESSION TAG
SEQADV 2KZ5 HIS A    3  UNP  Q16621              EXPRESSION TAG
SEQADV 2KZ5 HIS A    4  UNP  Q16621              EXPRESSION TAG
SEQADV 2KZ5 HIS A    5  UNP  Q16621              EXPRESSION TAG
SEQADV 2KZ5 HIS A    6  UNP  Q16621              EXPRESSION TAG
SEQADV 2KZ5 HIS A    7  UNP  Q16621              EXPRESSION TAG
SEQADV 2KZ5 HIS A    8  UNP  Q16621              EXPRESSION TAG
SEQADV 2KZ5 SER A    9  UNP  Q16621              EXPRESSION TAG
SEQADV 2KZ5 HIS A   10  UNP  Q16621              EXPRESSION TAG
SEQADV 2KZ5 MET A   11  UNP  Q16621              EXPRESSION TAG
SEQADV 2KZ5 TYR A   81  UNP  Q16621    CYS   283 CONFLICT
SEQRES   1 A   91  MET GLY HIS HIS HIS HIS HIS HIS SER HIS MET ALA LYS
SEQRES   2 A   91  PRO THR ALA ARG GLY GLU ALA GLY SER ARG ASP GLU ARG
SEQRES   3 A   91  ARG ALA LEU ALA MET LYS ILE PRO PHE PRO THR ASP LYS
SEQRES   4 A   91  ILE VAL ASN LEU PRO VAL ASP ASP PHE ASN GLU LEU LEU
SEQRES   5 A   91  ALA ARG TYR PRO LEU THR GLU SER GLN LEU ALA LEU VAL
SEQRES   6 A   91  ARG ASP ILE ARG ARG ARG GLY LYS ASN LYS VAL ALA ALA
SEQRES   7 A   91  GLN ASN TYR ARG LYS ARG LYS LEU GLU THR ILE VAL GLN
HELIX    1   1 SER A   22  LYS A   32  1                                  11
HELIX    2   2 PRO A   36  LEU A   43  1                                   8
HELIX    3   3 PRO A   44  TYR A   55  1                                  12
HELIX    4   4 THR A   58  ALA A   78  1                                  21
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
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 References