HEADER    OXYGEN STORAGE                          05-APR-73   1MBN      1MBNH  1
COMPND    MYOGLOBIN  (FERRIC IRON - METMYOGLOBIN)                       1MBN   4
SOURCE    SPERM WHALE (PHYSETER CATODON)                                1MBNM  1
AUTHOR    H.C.WATSON,J.C.KENDREW                                        1MBNG  1
REVDAT  20   27-OCT-83 1MBNS   1       REMARK                           1MBNS  1
REVDAT  19   30-SEP-83 1MBNR   1       REVDAT                           1MBNR  1
REVDAT  18   12-MAY-83 1MBNQ   3       REMARK SEQRES ATOM               1MBNR  2
REVDAT  17   07-MAR-83 1MBNP   3       ATOM                             1MBNR  3
REVDAT  16   15-JAN-82 1MBNO   1       REMARK                           1MBNR  4
REVDAT  15   15-JUL-81 1MBNN   1       REMARK SITE                      1MBNR  5
REVDAT  14   31-DEC-80 1MBNM   1       SOURCE REMARK                    1MBNR  6
REVDAT  13   07-APR-80 1MBNL   3       ATOM                             1MBNR  7
REVDAT  12   06-FEB-79 1MBNK   1       TURN                             1MBNR  8
REVDAT  11   15-JAN-79 1MBNJ   3       HETATM                           1MBNR  9
REVDAT  10   20-JUL-78 1MBNI   2       CONECT                           1MBNR 10
REVDAT   9   24-JAN-78 1MBNH   1       HEADER                           1MBNR 11
REVDAT   8   01-NOV-77 1MBNG   1       AUTHOR JRNL   REMARK FORMUL      1MBNR 12
REVDAT   7   09-SEP-77 1MBNF   1       REMARK                           1MBNR 13
REVDAT   6   23-AUG-77 1MBNE   3       HETATM CONECT                    1MBNR 14
REVDAT   5   13-JUN-77 1MBND   1       FTNOTE HET                       1MBNR 15
REVDAT   4   28-MAR-77 1MBNC   1       REMARK                           1MBNR 16
REVDAT   3   20-SEP-76 1MBNB   2       CONECT                           1MBNR 17
REVDAT   2   28-JUN-76 1MBNA   1       HEADER                           1MBNR 18
REVDAT   1   19-MAY-76 1MBN    0                                        1MBNR 19
JRNL        AUTH   H.C.WATSON                                           1MBNG  2
JRNL        TITL   THE STEREOCHEMISTRY OF THE PROTEIN MYOGLOBIN         1MBNG  3
JRNL        REF    PROG.STEREOCHEM.              V.   4   299 1969      1MBNG  4
JRNL        REFN   ASTM PRSTAP  US ISSN 0079-6808                  419  1MBNG  5
REMARK   1                                                              1MBNG  6
REMARK   1 REFERENCE 1                                                  1MBNQ  1
REMARK   1  AUTH   J.C.KENDREW                                          1MBNQ  2
REMARK   1  TITL   MYOGLOBIN AND THE STRUCTURE OF PROTEINS (NOBEL       1MBNQ  3
REMARK   1  TITL 2 LECTURE, DECEMBER 11, 1962)                          1MBNQ  4
REMARK   1  REF    PRIX NOBEL                             103 1963      1MBNQ  5
REMARK   1  REFN   ASTM PRIXAL  SW ISSN 0546-8175                  945  1MBNS  2
REMARK   1 REFERENCE 2                                                  1MBNQ  7
REMARK   1  EDIT   R.J.FELDMANN                                         1MBNG  8
REMARK   1  REF    ATLAS OF MACROMOLECULAR                125 1976      1MBNG  9
REMARK   1  REF  2 STRUCTURE ON MICROFICHE                              1MBNG 10
REMARK   1  PUBL   TRACOR JITCO INC.,ROCKVILLE,MD.                      1MBNG 11
REMARK   1  REFN                   ISBN 0-917934-01-6              434  1MBNG 12
REMARK   1 REFERENCE 3                                                  1MBNQ  8
REMARK   1  EDIT   M.O.DAYHOFF                                          1MBNG 14
REMARK   1  REF    ATLAS OF PROTEIN SEQUENCE     V.   5    84 1972      1MBNG 15
REMARK   1  REF  2 AND STRUCTURE (DATA SECTION)                         1MBNG 16
REMARK   1  PUBL   NATIONAL BIOMEDICAL RESEARCH FOUNDATION,             1MBNG 17
REMARK   1  PUBL 2 SILVER SPRING,MD.                                    1MBNG 18
REMARK   1  REFN                   ISBN 0-912466-02-2              435  1MBNG 19
REMARK   2                                                              1MBNF  1
REMARK   2 RESOLUTION. 2.0 ANGSTROMS.                                   1MBNM  2
REMARK   3                                                              1MBNF  4
REMARK   3 REFINEMENT. COORDINATES WERE REFINED BY THE DIAMOND          1MBNM  3
REMARK   3  REAL-SPACE REFINEMENT PROCEDURE.                            1MBNM  4
REMARK   4                                                              1MBNF  7
REMARK   4 A TOTAL OF 10 REVERSE TURNS (WITH A HYDROGEN BOND TO THE     1MBNF  8
REMARK   4 CARBONYL OXYGEN OF RESIDUE I FROM THE AMINO NITROGEN ATOM    1MBNF  9
REMARK   4 OF RESIDUE I+3) EXIST AND ARE DISTRIBUTED OVER THE SEVEN     1MBNF 10
REMARK   4 INTER-HELICAL REGIONS. THE SEVEN TURNS LISTED BELOW EACH     1MBNF 11
REMARK   4 INVOLVE ONE RESIDUE CONSIDERED TO BE PART OF A HELIX AND SO  1MBNF 12
REMARK   4 DO NOT QUALIFY FOR LISTING UNDER THE TURN HEADING. THESE     1MBNF 13
REMARK   4 TURNS ARE-                                                   1MBNF 14
REMARK   4 LYS(16)-ALA(19) , VAL(15)-ASP(20) , LEU(40)-PHE(43)          1MBNF 15
REMARK   4 ILE(75)-LYS(78) , LEU(76)-LYS(79) , HIS(116)-HIS(119)        1MBNF 16
REMARK   4 LYS(147)-GLY(150).                                           1MBNF 17
REMARK   5                                                              1MBNF 18
REMARK   5 N, PHI AND H GIVEN FOR HELICES ARE NUMBER OF RESIDUES/TURN,  1MBNF 19
REMARK   5 ANGULAR ROTATION/RESIDUE(RADIANS) AND TRANSLATION/RESIDUE    1MBNF 20
REMARK   5 IN ANGSTROMS.                                                1MBNF 21
REMARK   6                                                              1MBNF 22
REMARK   6 SITE HMB COMPRISES THOSE RESIDUES WHICH INTERACT DIRECTLY    1MBNF 23
REMARK   6 WITH THE HEME GROUP.                                         1MBNF 24
REMARK   7                                                              1MBNF 25
REMARK   7 CORRECTION. THE CONECT 1219 RECORD WAS WRONG.  THE 736       1MBNF 26
REMARK   7  SHOULD HAVE BEEN, AND IS NOW, 740.  20-SEP-76.              1MBNO  1
REMARK   8                                                              1MBNF 28
REMARK   8 CORRECTION. FIX MASTER RECORD TO SHOW CORRECT NUMBER OF      1MBNF 29
REMARK   8  FTNOTE RECORDS. 28-MAR-77.                                  1MBNF 30
REMARK   9                                                              1MBNF 31
REMARK   9 CORRECTION. FIX HET RECORD. MOVE FTNOTE RECORDS TO OCCUR     1MBNF 32
REMARK   9  AFTER SEQRES RECORDS. 13-JUN-77.                            1MBNF 33
REMARK  10                                                              1MBNF 34
REMARK  10 CORRECTION. REORDER THE ATOMS OF THE HEME GROUP AND CHANGE   1MBNF 35
REMARK  10  THE CONECT RECORDS CORRESPONDINGLY. 23-AUG-77.              1MBNF 36
REMARK  11                                                              1MBNF 37
REMARK  11 CORRECTION. RENUMBER REMARKS 1-10 AS 2-11 TO ALLOW FOR       1MBNF 38
REMARK  11  FUTURE INSERTION OF REFERENCES AS REMARK 1. 09-SEP-77.      1MBNF 39
REMARK  12                                                              1MBNG 20
REMARK  12 CORRECTION. REFORMAT HEADER INFORMATION TO MEET NEW          1MBNG 21
REMARK  12  SPECIFICATIONS.                                             1MBNG 22
REMARK  12  ADD FORMUL RECORDS.                                         1MBNG 23
REMARK  12  01-NOV-77.                                                  1MBNG 24
REMARK  13                                                              1MBNH  2
REMARK  13 CORRECTION. MOVE ENTRY NAME ON HEADER RECORD. 24-JAN-78.     1MBNH  3
REMARK  14                                                              1MBNI  1
REMARK  14 CORRECTION. FIX TWO CONECT RECORDS. 20-JUL-78.               1MBNI  2
REMARK  15                                                              1MBNJ  1
REMARK  15 CORRECTION. CORRECT ATOMIC NOMENCLATURE FOR 12 ATOMS IN      1MBNJ  2
REMARK  15  HEME GROUP. 15-JAN-79.                                      1MBNJ  3
REMARK  16                                                              1MBNK  1
REMARK  16 CORRECTION. CORRECT FORMAT OF TURN RECORD.  06-FEB-79.       1MBNO  2
REMARK  17                                                              1MBNL  1
REMARK  17 CORRECTION. STANDARDIZE NOMENCLATURE TO FOLLOW IUPAC-IUB     1MBNL  2
REMARK  17  RECOMMENDATIONS.  INTERCHANGE CD1 AND CD2 FOR LEUCINES      1MBNL  3
REMARK  17  9, 11, 29, 32, 40, 49, 61, 69, 72, 76, 86, 89, 104, 115,    1MBNL  4
REMARK  17  135, 137, 149.  INTERCHANGE CG1 AND CG2 FOR VALINES 1, 10,  1MBNL  5
REMARK  17  13, 17, 21, 66, 68, 114.  07-APR-80.                        1MBNL  6
REMARK  18                                                              1MBNM  5
REMARK  18 CORRECTION. STANDARDIZE FORMAT OF SOURCE, REMARKS 2 AND 3.   1MBNM  6
REMARK  18  31-DEC-80.                                                  1MBNM  7
REMARK  19                                                              1MBNN  1
REMARK  19 CORRECTION. CORRECT RESIDUE IDENTIFICATION ON SITE RECORDS.  1MBNN  2
REMARK  19  ADD RESIDUE TO SITE RECORDS.  15-JUL-81.                    1MBNN  3
REMARK  20                                                              1MBNO  3
REMARK  20 CORRECTION. CORRECT DATES IN REMARKS 7 AND 16. 15-JAN-82.    1MBNO  4
REMARK  21                                                              1MBNP  1
REMARK  21 CORRECTION. CORRECT ATOM NAME FOR ATOM 6 FROM CG2 TO CG1.    1MBNP  2
REMARK  21  07-MAR-83.                                                  1MBNP  3
REMARK  22                                                              1MBNQ  9
REMARK  22 CORRECTION. CHANGE RESIDUE 122 FROM ASN TO ASP.  ADD         1MBNQ 10
REMARK  22  REFERENCE.  12-MAY-83.                                      1MBNQ 11
REMARK  23                                                              1MBNR 20
REMARK  23 CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83.                1MBNR 21
REMARK  24                                                              1MBNS  3
REMARK  24 CORRECTION. CORRECT CODEN FOR REFERENCE 1.  27-OCT-83.       1MBNS  4
SEQRES   1    153  VAL LEU SER GLU GLY GLU TRP GLN LEU VAL LEU HIS VAL  1MBN  39
SEQRES   2    153  TRP ALA LYS VAL GLU ALA ASP VAL ALA GLY HIS GLY GLN  1MBN  40
SEQRES   3    153  ASP ILE LEU ILE ARG LEU PHE LYS SER HIS PRO GLU THR  1MBN  41
SEQRES   4    153  LEU GLU LYS PHE ASP ARG PHE LYS HIS LEU LYS THR GLU  1MBN  42
SEQRES   5    153  ALA GLU MET LYS ALA SER GLU ASP LEU LYS LYS HIS GLY  1MBN  43
SEQRES   6    153  VAL THR VAL LEU THR ALA LEU GLY ALA ILE LEU LYS LYS  1MBN  44
SEQRES   7    153  LYS GLY HIS HIS GLU ALA GLU LEU LYS PRO LEU ALA GLN  1MBN  45
SEQRES   8    153  SER HIS ALA THR LYS HIS LYS ILE PRO ILE LYS TYR LEU  1MBN  46
SEQRES   9    153  GLU PHE ILE SER GLU ALA ILE ILE HIS VAL LEU HIS SER  1MBN  47
SEQRES  10    153  ARG HIS PRO GLY ASP PHE GLY ALA ASP ALA GLN GLY ALA  1MBNQ 12
SEQRES  11    153  MET ASN LYS ALA LEU GLU LEU PHE ARG LYS ASP ILE ALA  1MBN  49
SEQRES  12    153  ALA LYS TYR LYS GLU LEU GLY TYR GLN GLY              1MBN  50
FTNOTE   1                                                              1MBND  4
FTNOTE   1 COORDINATES MEASURED BUT HAVE SLIGHTLY HIGHER UNCERTAINTIES  1MBND  5
FTNOTE   1 THAN THOSE OF OTHER ATOMS.                                   1MBND  6
FTNOTE   2                                                              1MBND  7
FTNOTE   2 ATOMIC COORDINATES OBTAINED BY ASSUMING STANDARD RESIDUE     1MBND  8
FTNOTE   2 CONFIGURATION.                                               1MBND  9
HET    HEM      1      44     PROTOPORPHYRIN IX WITH FE(OH), FERRIC     1MBND 10
FORMUL   2  HEM    C34 H32 N4 O4 FE1 +++ .                              1MBNG 25
FORMUL   2  HEM    H1 O1                                                1MBNG 26
HELIX    1   A SER      3  GLU     18  1 N=3.63,PHI=1.73,H=1.50         1MBN  52
HELIX    2   B ASP     20  SER     35  1 N=3.72,PHI=1.69,H=1.47         1MBN  53
HELIX    3   C HIS     36  LYS     42  1 SHORT IRREGULAR HELIX          1MBN  54
HELIX    4   D THR     51  ALA     57  1 N=3.63,PHI=1.73,H=1.45         1MBN  55
HELIX    5   E SER     58  LYS     77  1 BENT ABOUT 7 DEG. AT THR (67)  1MBN  56
HELIX    6   F LEU     86  ALA     94  1 N=3.70,PHI=1.70,H=1.46         1MBN  57
HELIX    7   G PRO    100  ARG    118  1 N=3.59,PHI=1.75,H=1.53         1MBN  58
HELIX    8   H ALA    125  GLU    148  1 N=3.63,PHI=1.73,H=1.49         1MBN  59
TURN     1 CD1 PHE    43  PHE    46     BETW C/D HELICES IMM PREC CD2   1MBN  60
TURN     2 CD2 PHE    46  LEU    49     BETW C/D HELICES IMM FOLL CD1   1MBN  61
TURN     3  EF LYS    78  HIS    81     BETW E/F HELICES                1MBNK  3
SITE     1 HMB  9 PHE    43  ARG    45  HIS    64  VAL    68            1MBNN  4
SITE     2 HMB  9 ALA    71  HIS    93  HIS    97  LEU   104            1MBNN  5
SITE     3 HMB  9 ILE   107                                             1MBNN  6
CRYST1   64.500   30.900   34.700  90.00 106.00  90.00 P 21          2  1MBN  65
ORIGX1       1.00000   0.00000   0.00000        0.00000                 1MBN  66
ORIGX2       0.00000   1.00000   0.00000        0.00000                 1MBN  67
ORIGX3       0.00000   0.00000   1.00000        0.00000                 1MBN  68
SCALE1        .01550   0.00000    .00445        0.00000                 1MBN  69
SCALE2       0.00000    .03236   0.00000        0.00000                 1MBN  70
SCALE3       0.00000   0.00000    .02998        0.00000                 1MBN  71
ATOM      1  N   VAL     1      -2.900  17.600  15.500  1.00  0.00   2  1MBN  72
ATOM      2  CA  VAL     1      -3.600  16.400  15.300  1.00  0.00   2  1MBN  73
ATOM      3  C   VAL     1      -3.000  15.300  16.200  1.00  0.00   2  1MBN  74
ATOM      4  O   VAL     1      -3.700  14.700  17.000  1.00  0.00   2  1MBN  75
ATOM      5  CB  VAL     1      -3.500  16.000  13.800  1.00  0.00   2  1MBN  76
ATOM      6  CG1 VAL     1      -2.100  15.700  13.300  1.00  0.00   2  1MBNP  4
ATOM      7  CG2 VAL     1      -4.600  14.900  13.400  1.00  0.00   2  1MBNL  8
ATOM      8  N   LEU     2      -1.700  15.100  16.000  1.00  0.00   1  1MBN  79
ATOM      9  CA  LEU     2       -.900  14.100  16.700  1.00  0.00      1MBN  80
ATOM     10  C   LEU     2      -1.000  13.900  18.300  1.00  0.00      1MBN  81
ATOM     11  O   LEU     2       -.900  14.900  19.000  1.00  0.00      1MBN  82
ATOM     12  CB  LEU     2        .600  14.200  16.500  1.00  0.00      1MBN  83
ATOM     13  CG  LEU     2       1.100  14.300  15.100  1.00  0.00   1  1MBN  84
ATOM     14  CD1 LEU     2        .400  15.500  14.400  1.00  0.00   1  1MBNL  9
ATOM     15  CD2 LEU     2       2.600  14.400  15.000  1.00  0.00   1  1MBNL 10
MASTER       96    6    1    8    0    3    3    6 1260    1   46   12  1MBNS  5
END                                                                     1MBN1380
