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PDBsum entry 1tn1

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RNA PDB id
1tn1
Jmol
Contents
DNA/RNA
Ligands
SPM
Metals
_PB ×3
_MG ×5
Waters ×107
HEADER    RNA                                     04-DEC-86   1TN1
TITLE     CRYSTALLOGRAPHIC AND BIOCHEMICAL INVESTIGATION OF THE LEAD(II)-
TITLE    2 CATALYZED HYDROLYSIS OF YEAST PHENYLALANINE TRNA
COMPND    MOL_ID: 1;
COMPND   2 MOLECULE: TRNAPHE;
COMPND   3 CHAIN: A;
COMPND   4 ENGINEERED: YES
SOURCE    MOL_ID: 1;
SOURCE   2 SYNTHETIC: YES;
SOURCE   3 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE   4 ORGANISM_COMMON: BAKER'S YEAST;
SOURCE   5 ORGANISM_TAXID: 4932
KEYWDS    TRANSLATION, RNA
EXPDTA    X-RAY DIFFRACTION
AUTHOR    J.C.DEWAN,R.S.BROWN,B.E.HINGERTY,A.KLUG
REVDAT   3   13-JUL-11 1TN1    1       VERSN
REVDAT   2   24-FEB-09 1TN1    1       VERSN
REVDAT   1   15-JAN-87 1TN1    0
JRNL        AUTH   R.S.BROWN,J.C.DEWAN,A.KLUG
JRNL        TITL   CRYSTALLOGRAPHIC AND BIOCHEMICAL INVESTIGATION OF THE
JRNL        TITL 2 LEAD(II)-CATALYZED HYDROLYSIS OF YEAST PHENYLALANINE TRNA.
JRNL        REF    BIOCHEMISTRY                  V.  24  4785 1985
JRNL        REFN                   ISSN 0006-2960
JRNL        PMID   3907691
JRNL        DOI    10.1021/BI00339A012
REMARK   1
REMARK   1 REFERENCE 1
REMARK   1  AUTH   R.S.BROWN,B.E.HINGERTY,J.C.DEWAN,A.KLUG
REMARK   1  TITL   PB(II)-CATALYSED CLEAVAGE OF THE SUGAR-PHOSPHATE BACKBONE OF
REMARK   1  TITL 2 YEAST TRNA-PHE-IMPLICATIONS FOR LEAD TOXICITY AND
REMARK   1  TITL 3 SELF-SPLICING RNA
REMARK   1  REF    NATURE                        V. 303   543 1983
REMARK   1  REFN                   ISSN 0028-0836
REMARK   2
REMARK   2 RESOLUTION.    3.00 ANGSTROMS.
REMARK   3
REMARK   3 REFINEMENT.
REMARK   3   PROGRAM     : EREF
REMARK   3   AUTHORS     : JACK,LEVITT
REMARK   3
REMARK   3  DATA USED IN REFINEMENT.
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 3.00
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : NULL
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : NULL
REMARK   3   NUMBER OF REFLECTIONS             : NULL
REMARK   3
REMARK   3  FIT TO DATA USED IN REFINEMENT.
REMARK   3   CROSS-VALIDATION METHOD          : NULL
REMARK   3   FREE R VALUE TEST SET SELECTION  : NULL
REMARK   3   R VALUE            (WORKING SET) : 0.227
REMARK   3   FREE R VALUE                     : NULL
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL
REMARK   3   FREE R VALUE TEST SET COUNT      : NULL
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL
REMARK   3
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.
REMARK   3   TOTAL NUMBER OF BINS USED           : NULL
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL
REMARK   3   BIN R VALUE           (WORKING SET) : NULL
REMARK   3   BIN FREE R VALUE                    : NULL
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL
REMARK   3
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK   3   PROTEIN ATOMS            : 0
REMARK   3   NUCLEIC ACID ATOMS       : 1652
REMARK   3   HETEROGEN ATOMS          : 22
REMARK   3   SOLVENT ATOMS            : 107
REMARK   3
REMARK   3  B VALUES.
REMARK   3   FROM WILSON PLOT           (A**2) : NULL
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL
REMARK   3   OVERALL ANISOTROPIC B VALUE.
REMARK   3    B11 (A**2) : NULL
REMARK   3    B22 (A**2) : NULL
REMARK   3    B33 (A**2) : NULL
REMARK   3    B12 (A**2) : NULL
REMARK   3    B13 (A**2) : NULL
REMARK   3    B23 (A**2) : NULL
REMARK   3
REMARK   3  ESTIMATED COORDINATE ERROR.
REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL
REMARK   3   ESD FROM SIGMAA              (A) : NULL
REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL
REMARK   3
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL
REMARK   3
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.
REMARK   3   BOND LENGTHS                 (A) : NULL
REMARK   3   BOND ANGLES            (DEGREES) : NULL
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL
REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL
REMARK   3
REMARK   3  ISOTROPIC THERMAL MODEL : NULL
REMARK   3
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL
REMARK   3
REMARK   3  NCS MODEL : NULL
REMARK   3
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL
REMARK   3
REMARK   3  PARAMETER FILE  1  : NULL
REMARK   3  TOPOLOGY FILE  1   : NULL
REMARK   3
REMARK   3  OTHER REFINEMENT REMARKS: AT PRESENT THE COORDINATES FOR THE
REMARK   3  PH7.4 PB-TRNA ARE NOT AVAILABLE. THUS ONLY THE COORDINATES FOR
REMARK   3  THE PB IONS ARE INCLUDED IN THIS ENTRY. REFINEMENT OF THE PH5.0
REMARK   3  AND PH7.4 STRUCTURES INDICATED THAT THEY CHANGED VERY LITTLE FROM
REMARK   3  THE NATIVE STRUCTURE. THE ONLY REAL DIFFERENCE IS THE PRESENCE OF
REMARK   3  THE PB IONS. ALSO, IN THE PH 7.4 STRUCTURE, THE SUGAR-PHOSPHATE
REMARK   3  BACKBONE IS CLEAVED BETWEEN RESIDUES H2U 17 AND G 18. THIS ENTRY
REMARK   3  ORIGINALLY CONTAINED ONLY THE COORDINATES OF THE THREE PB IONS.
REMARK   3  IN ORDER TO BRING COMPLETENESS TO THE STRUCTURE, THE ENTRY HAS
REMARK   3  BEEN REMEDIATED BY MERGING THE COORDINATES OF THE TRNA, MG ION
REMARK   3  AND WATER FROM THE RELATED ENTRY 1TN2.
REMARK   4
REMARK   4 1TN1 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION
REMARK 200  DATE OF DATA COLLECTION        : NULL
REMARK 200  TEMPERATURE           (KELVIN) : NULL
REMARK 200  PH                             : NULL
REMARK 200  NUMBER OF CRYSTALS USED        : NULL
REMARK 200
REMARK 200  SYNCHROTRON              (Y/N) : NULL
REMARK 200  RADIATION SOURCE               : NULL
REMARK 200  BEAMLINE                       : NULL
REMARK 200  X-RAY GENERATOR MODEL          : NULL
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M
REMARK 200  WAVELENGTH OR RANGE        (A) : NULL
REMARK 200  MONOCHROMATOR                  : NULL
REMARK 200  OPTICS                         : NULL
REMARK 200
REMARK 200  DETECTOR TYPE                  : NULL
REMARK 200  DETECTOR MANUFACTURER          : NULL
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL
REMARK 200  DATA SCALING SOFTWARE          : NULL
REMARK 200
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : NULL
REMARK 200  RESOLUTION RANGE HIGH      (A) : NULL
REMARK 200  RESOLUTION RANGE LOW       (A) : NULL
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200  COMPLETENESS FOR RANGE     (%) : NULL
REMARK 200  DATA REDUNDANCY                : NULL
REMARK 200  R MERGE                    (I) : NULL
REMARK 200  R SYM                      (I) : NULL
REMARK 200   FOR THE DATA SET  : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL
REMARK 200  R MERGE FOR SHELL          (I) : NULL
REMARK 200  R SYM FOR SHELL            (I) : NULL
REMARK 200   FOR SHELL         : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
REMARK 200 SOFTWARE USED: NULL
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS   (%): 48.37
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.38
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1
REMARK 290
REMARK 290      SYMOP   SYMMETRY
REMARK 290     NNNMMM   OPERATOR
REMARK 290       1555   X,Y,Z
REMARK 290       2555   -X,Y+1/2,-Z
REMARK 290
REMARK 290     WHERE NNN -> OPERATOR NUMBER
REMARK 290           MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       16.60000
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000
REMARK 290
REMARK 290 REMARK: NULL
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: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
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    HOH A    86     O    HOH A   163              0.35
REMARK 500  PB     PB A    84     O    HOH A   182              0.82
REMARK 500   O    HOH A   181     O    HOH A   190              1.32
REMARK 500   P      A A    23     O    HOH A   162              1.37
REMARK 500   OP2    G A     3     O    HOH A   152              1.53
REMARK 500   OP2    A A    23     O    HOH A   162              1.57
REMARK 500   N10  SPM A    77     O    HOH A   182              1.59
REMARK 500  PB     PB A    84     O    HOH A   190              1.62
REMARK 500  PB     PB A    84     O    HOH A   181              1.65
REMARK 500   O5'    A A    23     O    HOH A   162              1.84
REMARK 500   C8   SPM A    77     O    HOH A   182              1.91
REMARK 500   O2'    G A    15     O    HOH A   102              1.92
REMARK 500   O2'    A A    67     O    HOH A    95              1.95
REMARK 500   O3'    G A    22     O    HOH A   162              1.96
REMARK 500   O    HOH A   125     O    HOH A   178              1.99
REMARK 500   C9   SPM A    77     O    HOH A   182              1.99
REMARK 500   N10  SPM A    77     O    HOH A   181              1.99
REMARK 500   O3'    U A    47     O    HOH A   163              2.03
REMARK 500   P      G A     3     O    HOH A   152              2.03
REMARK 500   C8   SPM A    77    PB     PB A    84              2.04
REMARK 500   O5'    A A    62     O    HOH A   169              2.05
REMARK 500   O5'    C A    48     O    HOH A    86              2.08
REMARK 500   OP2    U A     8     O    HOH A    93              2.08
REMARK 500   OP1    U A     8     O    HOH A   175              2.09
REMARK 500   OP2    A A    62     O    HOH A   169              2.10
REMARK 500   C11  SPM A    77     O    HOH A   181              2.11
REMARK 500   C11  SPM A    77    PB     PB A    84              2.12
REMARK 500   C8     A A    73     O    HOH A   119              2.12
REMARK 500   C1'    G A    65     O    HOH A   115              2.13
REMARK 500   C5     U A    47     O    HOH A   101              2.15
REMARK 500   O    HOH A   181     O    HOH A   182              2.15
REMARK 500   C2'    G A    15     O    HOH A   102              2.16
REMARK 500   O3'    U A    47     O    HOH A    86              2.17
REMARK 500   C9   SPM A    77    PB     PB A    84              2.17
REMARK 500   C12  SPM A    77     O    HOH A   181              2.17
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE
REMARK 500   O    HOH A   124     O    HOH A   126     2656     0.90
REMARK 500   O2'    C A    13     O    HOH A    94     1545     1.28
REMARK 500   C2'    C A    13     O    HOH A    94     1545     1.37
REMARK 500   C3'    C A    13     O    HOH A    94     1545     1.39
REMARK 500   N4     C A    75     O    HOH A   154     2646     1.60
REMARK 500   O3'    C A    13     O    HOH A    94     1545     1.62
REMARK 500   O2'    G A    43     O2'    C A    75     2656     1.75
REMARK 500   N1   PSU A    55     O    HOH A    87     2656     1.82
REMARK 500   C4'    C A    13     O    HOH A    94     1545     1.91
REMARK 500   O2'    G A    42     C4'    A A    76     2656     2.05
REMARK 500   N3     G A    43     O2     C A    75     2656     2.11
REMARK 500   O2'    G A    42     O3'    A A    76     2656     2.18
REMARK 500   O2'    G A    42     C3'    A A    76     2656     2.19
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION
REMARK 500      G A   1   N3      G A   1   C4      0.045
REMARK 500      G A   1   C6      G A   1   N1     -0.050
REMARK 500      G A   1   N7      G A   1   C8      0.116
REMARK 500      C A   2   N1      C A   2   C6     -0.047
REMARK 500      C A   2   C5      C A   2   C6      0.056
REMARK 500      G A   3   N1      G A   3   C2     -0.050
REMARK 500      G A   3   C6      G A   3   N1     -0.081
REMARK 500      G A   3   N7      G A   3   C8      0.135
REMARK 500      G A   3   C8      G A   3   N9      0.066
REMARK 500      G A   4   C6      G A   4   N1     -0.063
REMARK 500      G A   4   N7      G A   4   C8      0.139
REMARK 500      G A   4   C8      G A   4   N9      0.045
REMARK 500      A A   5   C6      A A   5   N1     -0.049
REMARK 500      A A   5   N7      A A   5   C8      0.144
REMARK 500      A A   5   N9      A A   5   C4     -0.046
REMARK 500      U A   6   N1      U A   6   C6     -0.066
REMARK 500      U A   6   C5      U A   6   C6      0.060
REMARK 500      U A   7   P       U A   7   O5'    -0.064
REMARK 500      U A   7   N1      U A   7   C2     -0.095
REMARK 500      U A   7   N1      U A   7   C6     -0.090
REMARK 500      U A   7   C2      U A   7   N3     -0.079
REMARK 500      U A   7   N3      U A   7   C4     -0.095
REMARK 500      U A   7   C4      U A   7   C5     -0.065
REMARK 500      U A   8   C2'     U A   8   C1'    -0.058
REMARK 500      U A   8   N1      U A   8   C2     -0.074
REMARK 500      U A   8   N1      U A   8   C6     -0.062
REMARK 500      U A   8   C2      U A   8   N3     -0.053
REMARK 500      U A   8   N3      U A   8   C4     -0.076
REMARK 500      U A   8   C4      U A   8   C5     -0.063
REMARK 500      A A   9   P       A A   9   O5'    -0.069
REMARK 500      A A   9   C2'     A A   9   C1'    -0.058
REMARK 500      A A   9   N3      A A   9   C4      0.038
REMARK 500      A A   9   C5      A A   9   C6     -0.059
REMARK 500      A A   9   N7      A A   9   C8      0.098
REMARK 500      A A   9   N9      A A   9   C4     -0.077
REMARK 500      C A  11   N1      C A  11   C2     -0.069
REMARK 500      C A  11   N1      C A  11   C6     -0.051
REMARK 500      U A  12   N1      U A  12   C6     -0.070
REMARK 500      U A  12   N3      U A  12   C4     -0.060
REMARK 500      U A  12   C5      U A  12   C6      0.064
REMARK 500      C A  13   N1      C A  13   C2     -0.079
REMARK 500      C A  13   N1      C A  13   C6     -0.066
REMARK 500      C A  13   N3      C A  13   C4     -0.044
REMARK 500      C A  13   C5      C A  13   C6      0.053
REMARK 500      A A  14   C2'     A A  14   C1'    -0.052
REMARK 500      A A  14   C6      A A  14   N1     -0.077
REMARK 500      A A  14   N7      A A  14   C8      0.099
REMARK 500      G A  15   N1      G A  15   C2     -0.058
REMARK 500      G A  15   N3      G A  15   C4      0.043
REMARK 500      G A  15   C6      G A  15   N1     -0.072
REMARK 500
REMARK 500 THIS ENTRY HAS     196 BOND DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3
REMARK 500      G A   1   N9  -  C1' -  C2' ANGL. DEV. =  -8.5 DEGREES
REMARK 500      G A   1   C6  -  N1  -  C2  ANGL. DEV. =  -3.8 DEGREES
REMARK 500      G A   1   C2  -  N3  -  C4  ANGL. DEV. =   8.9 DEGREES
REMARK 500      G A   1   N3  -  C4  -  C5  ANGL. DEV. = -13.0 DEGREES
REMARK 500      G A   1   C5  -  C6  -  N1  ANGL. DEV. =   6.4 DEGREES
REMARK 500      G A   1   N7  -  C8  -  N9  ANGL. DEV. =  -4.3 DEGREES
REMARK 500      G A   1   N9  -  C4  -  C5  ANGL. DEV. =   4.1 DEGREES
REMARK 500      G A   1   N3  -  C4  -  N9  ANGL. DEV. =   8.8 DEGREES
REMARK 500      G A   1   N1  -  C6  -  O6  ANGL. DEV. =   3.7 DEGREES
REMARK 500      G A   1   C5  -  C6  -  O6  ANGL. DEV. = -10.1 DEGREES
REMARK 500      C A   2   O5' -  C5' -  C4' ANGL. DEV. =  -8.3 DEGREES
REMARK 500      C A   2   N3  -  C4  -  C5  ANGL. DEV. =  -2.6 DEGREES
REMARK 500      G A   3   C6  -  N1  -  C2  ANGL. DEV. =  -4.5 DEGREES
REMARK 500      G A   3   C2  -  N3  -  C4  ANGL. DEV. =   8.5 DEGREES
REMARK 500      G A   3   N3  -  C4  -  C5  ANGL. DEV. = -14.2 DEGREES
REMARK 500      G A   3   C4  -  C5  -  C6  ANGL. DEV. =   4.1 DEGREES
REMARK 500      G A   3   C5  -  C6  -  N1  ANGL. DEV. =   6.5 DEGREES
REMARK 500      G A   3   N7  -  C8  -  N9  ANGL. DEV. =  -4.1 DEGREES
REMARK 500      G A   3   N9  -  C4  -  C5  ANGL. DEV. =   5.2 DEGREES
REMARK 500      G A   3   N3  -  C4  -  N9  ANGL. DEV. =   9.0 DEGREES
REMARK 500      G A   3   N1  -  C6  -  O6  ANGL. DEV. =   3.9 DEGREES
REMARK 500      G A   3   C5  -  C6  -  O6  ANGL. DEV. = -10.4 DEGREES
REMARK 500      G A   4   P   -  O5' -  C5' ANGL. DEV. = -10.4 DEGREES
REMARK 500      G A   4   C6  -  N1  -  C2  ANGL. DEV. =  -3.8 DEGREES
REMARK 500      G A   4   C2  -  N3  -  C4  ANGL. DEV. =   9.1 DEGREES
REMARK 500      G A   4   N3  -  C4  -  C5  ANGL. DEV. = -12.5 DEGREES
REMARK 500      G A   4   C5  -  C6  -  N1  ANGL. DEV. =   6.1 DEGREES
REMARK 500      G A   4   C4  -  C5  -  N7  ANGL. DEV. =  -3.1 DEGREES
REMARK 500      G A   4   N7  -  C8  -  N9  ANGL. DEV. =  -5.5 DEGREES
REMARK 500      G A   4   N9  -  C4  -  C5  ANGL. DEV. =   5.1 DEGREES
REMARK 500      G A   4   N3  -  C4  -  N9  ANGL. DEV. =   7.4 DEGREES
REMARK 500      G A   4   N1  -  C2  -  N2  ANGL. DEV. =   6.1 DEGREES
REMARK 500      G A   4   N3  -  C2  -  N2  ANGL. DEV. =  -4.9 DEGREES
REMARK 500      G A   4   C5  -  C6  -  O6  ANGL. DEV. =  -9.6 DEGREES
REMARK 500      A A   5   N1  -  C2  -  N3  ANGL. DEV. =  -7.2 DEGREES
REMARK 500      A A   5   C2  -  N3  -  C4  ANGL. DEV. =  11.1 DEGREES
REMARK 500      A A   5   N3  -  C4  -  C5  ANGL. DEV. = -12.3 DEGREES
REMARK 500      A A   5   C4  -  C5  -  C6  ANGL. DEV. =   4.2 DEGREES
REMARK 500      A A   5   N7  -  C8  -  N9  ANGL. DEV. =  -5.0 DEGREES
REMARK 500      A A   5   N9  -  C4  -  C5  ANGL. DEV. =   5.8 DEGREES
REMARK 500      A A   5   N3  -  C4  -  N9  ANGL. DEV. =   6.4 DEGREES
REMARK 500      U A   6   P   -  O5' -  C5' ANGL. DEV. = -10.3 DEGREES
REMARK 500      U A   6   N1  -  C2  -  N3  ANGL. DEV. =   5.9 DEGREES
REMARK 500      U A   6   C2  -  N3  -  C4  ANGL. DEV. =  -5.5 DEGREES
REMARK 500      U A   6   C5  -  C6  -  N1  ANGL. DEV. =  -3.2 DEGREES
REMARK 500      U A   6   C5  -  C4  -  O4  ANGL. DEV. =  -6.5 DEGREES
REMARK 500      U A   7   N1  -  C2  -  N3  ANGL. DEV. =   7.2 DEGREES
REMARK 500      U A   7   C2  -  N3  -  C4  ANGL. DEV. =  -6.9 DEGREES
REMARK 500      U A   7   N3  -  C4  -  C5  ANGL. DEV. =   4.9 DEGREES
REMARK 500      U A   7   C5  -  C6  -  N1  ANGL. DEV. =  -4.0 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS     416 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500  M RES CSSEQI        RMS     TYPE
REMARK 500      G A  19         0.12    SIDE CHAIN
REMARK 500      A A  21         0.09    SIDE CHAIN
REMARK 500      G A  24         0.07    SIDE CHAIN
REMARK 500      C A  27         0.07    SIDE CHAIN
REMARK 500      A A  38         0.07    SIDE CHAIN
REMARK 500      G A  45         0.09    SIDE CHAIN
REMARK 500      G A  53         0.12    SIDE CHAIN
REMARK 500      G A  65         0.07    SIDE CHAIN
REMARK 500      C A  72         0.07    SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 525
REMARK 525 SOLVENT
REMARK 525
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525  M RES CSSEQI
REMARK 525    HOH A 122        DISTANCE = 15.28 ANGSTROMS
REMARK 525    HOH A 123        DISTANCE = 20.53 ANGSTROMS
REMARK 525    HOH A 128        DISTANCE = 15.80 ANGSTROMS
REMARK 525    HOH A 147        DISTANCE = 32.56 ANGSTROMS
REMARK 525    HOH A 184        DISTANCE =  8.10 ANGSTROMS
REMARK 600
REMARK 600 HETEROGEN
REMARK 600 PB(1) IS BOUND IN THE T-PSI-C LOOP.  PB(2) IS BOUND IN THE
REMARK 600 EXTRA LOOP REGION.  PB(3) IS BOUND IN THE ANTICODON LOOP.
REMARK 600 THE COORDINATION SITES FOR THE PB IONS COULD NOT BE FULLY
REMARK 600 CHARACTERIZED BECAUSE OF DIFFICULTIES IN ASSIGNING BOUND
REMARK 600 WATER LIGANDS AT 3.0 ANGSTROMS RESOLUTION.  A DESCRIPTION
REMARK 600 OF THE INTERACTION REGIONS IS GIVEN IN REFERENCE 1 ABOVE.
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
REMARK 620                              PB A  85  PB
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 OMC A  32   O2
REMARK 620 2  YG A  37   N7  152.3
REMARK 620 3  YG A  37   O6   99.0  55.7
REMARK 620 4   A A  36   N7  122.8  77.1 100.5
REMARK 620 N                    1     2     3
REMARK 620
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
REMARK 620                              PB A  84  PB
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 SPM A  77   N10
REMARK 620 2   G A  45   O6  129.3
REMARK 620 N                    1
REMARK 620
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
REMARK 620                              MG A  78  MG
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 HOH A 175   O
REMARK 620 2 HOH A  93   O    50.8
REMARK 620 3 HOH A 150   O    78.4 117.8
REMARK 620 N                    1     2
REMARK 620
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
REMARK 620                              MG A  79  MG
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 HOH A 106   O
REMARK 620 2   G A  20   OP1  85.5
REMARK 620 3   A A  21   OP2  97.3  72.5
REMARK 620 N                    1     2
REMARK 620
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
REMARK 620                              MG A  80  MG
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1   G A  19   OP1
REMARK 620 2  PB A  83  PB    81.0
REMARK 620 N                    1
REMARK 620
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL
REMARK 620                              PB A  83  PB
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1   C A  60   N3
REMARK 620 2   U A  59   O4   75.7
REMARK 620 N                    1
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SPM A 77
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 78
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 79
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 80
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PB A 83
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PB A 84
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC7
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PB A 85
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1TN2   RELATED DB: PDB
REMARK 900 PB(II)-TRANSFER RIBO-NUCLEIC ACID (YEAST, PHE) TRIBONUCLEIC
REMARK 900 ACID (PH 5.0)
DBREF  1TN1 A    1    76  PDB    1TN1     1TN1             1     76
SEQRES   1 A   76    G   C   G   G   A   U   U   U   A 2MG   C   U   C
SEQRES   2 A   76    A   G H2U H2U   G   G   G   A   G   A   G   C M2G
SEQRES   3 A   76    C   C   A   G   A OMC   U OMG   A   A  YG   A PSU
SEQRES   4 A   76  5MC   U   G   G   A   G 7MG   U   C 5MC   U   G   U
SEQRES   5 A   76    G 5MU PSU   C   G 1MA   U   C   C   A   C   A   G
SEQRES   6 A   76    A   A   U   U   C   G   C   A   C   C   A
MODRES 1TN1 2MG A   10    G  2N-METHYLGUANOSINE-5'-MONOPHOSPHATE
MODRES 1TN1 H2U A   16    U  5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE
MODRES 1TN1 H2U A   17    U  5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE
MODRES 1TN1 M2G A   26    G  N2-DIMETHYLGUANOSINE-5'-MONOPHOSPHATE
MODRES 1TN1 OMC A   32    C  O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE
MODRES 1TN1 OMG A   34    G  O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE
MODRES 1TN1  YG A   37    G  WYBUTOSINE
MODRES 1TN1 PSU A   39    U  PSEUDOURIDINE-5'-MONOPHOSPHATE
MODRES 1TN1 5MC A   40    C  5-METHYLCYTIDINE-5'-MONOPHOSPHATE
MODRES 1TN1 7MG A   46    G
MODRES 1TN1 5MC A   49    C  5-METHYLCYTIDINE-5'-MONOPHOSPHATE
MODRES 1TN1 5MU A   54    U  5-METHYLURIDINE 5'-MONOPHOSPHATE
MODRES 1TN1 PSU A   55    U  PSEUDOURIDINE-5'-MONOPHOSPHATE
MODRES 1TN1 1MA A   58    A
HET    2MG  A  10      24
HET    H2U  A  16      20
HET    H2U  A  17      20
HET    M2G  A  26      25
HET    OMC  A  32      21
HET    OMG  A  34      24
HET     YG  A  37      39
HET    PSU  A  39      20
HET    5MC  A  40      21
HET    7MG  A  46      24
HET    5MC  A  49      21
HET    5MU  A  54      21
HET    PSU  A  55      20
HET    1MA  A  58      23
HET    SPM  A  77      14
HET     MG  A  78       1
HET     MG  A  79       1
HET     MG  A  80       1
HET     MG  A  81       1
HET     MG  A  82       1
HET     PB  A  83       1
HET     PB  A  84       1
HET     PB  A  85       1
HETNAM     2MG 2N-METHYLGUANOSINE-5'-MONOPHOSPHATE
HETNAM     H2U 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE
HETNAM     M2G N2-DIMETHYLGUANOSINE-5'-MONOPHOSPHATE
HETNAM     OMC O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE
HETNAM     OMG O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE
HETNAM      YG WYBUTOSINE
HETNAM     PSU PSEUDOURIDINE-5'-MONOPHOSPHATE
HETNAM     5MC 5-METHYLCYTIDINE-5'-MONOPHOSPHATE
HETNAM     7MG 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE
HETNAM     5MU 5-METHYLURIDINE 5'-MONOPHOSPHATE
HETNAM     1MA 6-HYDRO-1-METHYLADENOSINE-5'-MONOPHOSPHATE
HETNAM     SPM SPERMINE
HETNAM      MG MAGNESIUM ION
HETNAM      PB LEAD (II) ION
HETSYN      YG Y-BASE; 1H-IMIDAZO(1,2-ALPHA)PURINE-7-BUTANOIC ACID,4,
HETSYN   2  YG  9-DIHYDRO-ALPHA-((METHOXYCARBONYL)AMINO)-4,6-DIMETHYL-
HETSYN   3  YG  9-OXO-METHYL ESTER
FORMUL   1  2MG    C11 H16 N5 O8 P
FORMUL   1  H2U    2(C9 H15 N2 O9 P)
FORMUL   1  M2G    C12 H18 N5 O8 P
FORMUL   1  OMC    C10 H16 N3 O8 P
FORMUL   1  OMG    C11 H16 N5 O8 P
FORMUL   1   YG    C21 H29 N6 O12 P
FORMUL   1  PSU    2(C9 H13 N2 O9 P)
FORMUL   1  5MC    2(C10 H16 N3 O8 P)
FORMUL   1  7MG    C11 H18 N5 O8 P
FORMUL   1  5MU    C10 H15 N2 O9 P
FORMUL   1  1MA    C11 H16 N5 O7 P
FORMUL   2  SPM    C10 H26 N4
FORMUL   3   MG    5(MG 2+)
FORMUL   8   PB    3(PB 2+)
FORMUL  11  HOH   *107(H2 O)
LINK         O3'   A A   9                 P   2MG A  10     1555   1555  1.60
LINK         O3' 2MG A  10                 P     C A  11     1555   1555  1.58
LINK         O3'   G A  15                 P   H2U A  16     1555   1555  1.62
LINK         O3' H2U A  16                 P   H2U A  17     1555   1555  1.62
LINK         O3' H2U A  17                 P     G A  18     1555   1555  1.62
LINK         O3'   C A  25                 P   M2G A  26     1555   1555  1.58
LINK         O3' M2G A  26                 P     C A  27     1555   1555  1.57
LINK         O3'   A A  31                 P   OMC A  32     1555   1555  1.63
LINK         O3' OMC A  32                 P     U A  33     1555   1555  1.62
LINK         O2  OMC A  32                PB    PB A  85     1555   1555  2.91
LINK         O3'   U A  33                 P   OMG A  34     1555   1555  1.63
LINK         O3' OMG A  34                 P     A A  35     1555   1555  1.64
LINK         O3'   A A  36                 P    YG A  37     1555   1555  1.63
LINK         N7   YG A  37                PB    PB A  85     1555   1555  2.49
LINK         O3'  YG A  37                 P     A A  38     1555   1555  1.62
LINK         O6   YG A  37                PB    PB A  85     1555   1555  3.28
LINK         O3'   A A  38                 P   PSU A  39     1555   1555  1.60
LINK         O3' PSU A  39                 P   5MC A  40     1555   1555  1.58
LINK         O3' 5MC A  40                 P     U A  41     1555   1555  1.61
LINK         O3'   G A  45                 P   7MG A  46     1555   1555  1.60
LINK         O3' 7MG A  46                 P     U A  47     1555   1555  1.60
LINK         O3'   C A  48                 P   5MC A  49     1555   1555  1.57
LINK         O3' 5MC A  49                 P     U A  50     1555   1555  1.62
LINK         O3'   G A  53                 P   5MU A  54     1555   1555  1.61
LINK         O3' 5MU A  54                 P   PSU A  55     1555   1555  1.61
LINK         O3' PSU A  55                 P     C A  56     1555   1555  1.61
LINK         O3'   G A  57                 P   1MA A  58     1555   1555  1.58
LINK         O3' 1MA A  58                 P     U A  59     1555   1555  1.63
LINK         N10 SPM A  77                PB    PB A  84     1555   1555  1.50
LINK        MG    MG A  78                 O   HOH A 175     1555   1555  2.88
LINK        MG    MG A  78                 O   HOH A  93     1555   1555  2.38
LINK        MG    MG A  78                 O   HOH A 150     1555   1555  2.19
LINK        MG    MG A  79                 O   HOH A 106     1555   1555  1.79
LINK        MG    MG A  79                 OP1   G A  20     1555   1555  2.43
LINK        MG    MG A  79                 OP2   A A  21     1555   1555  2.76
LINK        MG    MG A  80                 OP1   G A  19     1555   1555  2.64
LINK        MG    MG A  80                PB    PB A  83     1555   1555  2.48
LINK        PB    PB A  83                 N3    C A  60     1555   1555  2.94
LINK        PB    PB A  83                 O4    U A  59     1555   1555  2.42
LINK        PB    PB A  84                 O6    G A  45     1555   1555  2.60
LINK        PB    PB A  85                 N7    A A  36     1555   1555  3.04
SITE     1 AC1 12   A A   9    G A  22    A A  23    G A  24
SITE     2 AC1 12   C A  25    G A  45  7MG A  46   PB A  84
SITE     3 AC1 12 HOH A 162  HOH A 181  HOH A 182  HOH A 190
SITE     1 AC2  4   U A  12  HOH A  93  HOH A 150  HOH A 175
SITE     1 AC3  3   G A  20    A A  21  HOH A 106
SITE     1 AC4  4   G A  19    G A  20    U A  59   PB A  83
SITE     1 AC5  4   G A  19    U A  59    C A  60   MG A  80
SITE     1 AC6  5   G A  45  SPM A  77  HOH A 181  HOH A 182
SITE     2 AC6  5 HOH A 190
SITE     1 AC7  4 OMC A  32    U A  33    A A  36   YG A  37
CRYST1   56.700   33.200   63.000  90.00  89.90  90.00 P 1 21 1      2
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      0.017637  0.000000 -0.000031        0.00000
SCALE2      0.000000  0.030120  0.000000        0.00000
SCALE3      0.000000  0.000000  0.015873        0.00000
      
 References