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📁 蛋白质三级结构文件
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HEADER    ELECTRON TRANSFER (IRON-SULFUR PROTEIN) 01-APR-75   1HIP      1HIP   3COMPND    OXIDIZED HIGH POTENTIAL IRON PROTEIN (HIPIP).                 1HIP   4SOURCE    (CHROMATIUM VINOSUM), STRAIN D                                1HIPC  1AUTHOR    C.W.CARTER *JUNIOR,J.KRAUT,S.T.FREER,N.-H.XUONG,              1HIPB  1AUTHOR   2 R.A.ALDEN,R.G.BARTSCH                                        1HIPB  2REVDAT  11   15-APR-93 1HIPJ   3       HET    FORMUL HETATM             1HIPJ  1REVDAT  10   31-MAY-84 1HIPI   1       REMARK                           1HIPI  1REVDAT   9   30-SEP-83 1HIPH   1       REVDAT                           1HIPH  1REVDAT   8   13-JUN-83 1HIPG   1       REMARK                           1HIPH  2REVDAT   7   07-MAR-83 1HIPF   3       ATOM                             1HIPH  3REVDAT   6   31-DEC-80 1HIPE   1       REMARK                           1HIPH  4REVDAT   5   07-APR-80 1HIPD   3       ATOM                             1HIPH  5REVDAT   4   05-MAR-80 1HIPC   1       SOURCE                           1HIPH  6REVDAT   3   01-NOV-77 1HIPB   1       AUTHOR JRNL   REMARK FORMUL      1HIPH  7REVDAT   2   03-JAN-77 1HIPA   3       ATOM                             1HIPH  8REVDAT   1   22-NOV-76 1HIP    0                                        1HIPH  9JRNL        AUTH   C.W.CARTER *JUNIOR,J.KRAUT,S.T.FREER,N.-H.XUONG,     1HIPB  3JRNL        AUTH 2 R.A.ALDEN,R.G.BARTSCH                                1HIPB  4JRNL        TITL   TWO-ANGSTROM CRYSTAL STRUCTURE OF OXIDIZED           1HIPB  5JRNL        TITL 2 CHROMATIUM HIGH POTENTIAL IRON PROTEIN               1HIPB  6JRNL        REF    J.BIOL.CHEM.                  V. 249  4212 1974      1HIPB  7JRNL        REFN   ASTM JBCHA3  US ISSN 0021-9258                  071  1HIPB  8REMARK   1                                                              1HIPB  9REMARK   1 REFERENCE 1                                                  1HIPB 10REMARK   1  AUTH   S.T.FREER,R.A.ALDEN,C.W.CARTER *JUNIOR,J.KRAUT       1HIPB 11REMARK   1  TITL   CRYSTALLOGRAPHIC STRUCTURE REFINEMENT OF             1HIPB 12REMARK   1  TITL 2 CHROMATIUM HIGH POTENTIAL IRON PROTEIN AT            1HIPB 13REMARK   1  TITL 3 TWO ANGSTROMS RESOLUTION                             1HIPB 14REMARK   1  REF    J.BIOL.CHEM.                  V. 250    46 1975      1HIPB 15REMARK   1  REFN   ASTM JBCHA3  US ISSN 0021-9258                  071  1HIPB 16REMARK   1 REFERENCE 2                                                  1HIPB 17REMARK   1  AUTH   C.W.CARTER *JUNIOR,J.KRAUT,S.T.FREER,R.A.ALDEN       1HIPB 18REMARK   1  TITL   COMPARISON OF OXIDATION-REDUCTION SITE GEOMETRIES    1HIPB 19REMARK   1  TITL 2 IN OXIDIZED AND REDUCED CHROMATIUM HIGH POTENTIAL    1HIPB 20REMARK   1  TITL 3 IRON PROTEIN AND OXIDIZED PEPTOCOCCUS AEROGENES      1HIPB 21REMARK   1  TITL 4 FERREDOXIN                                           1HIPB 22REMARK   1  REF    J.BIOL.CHEM.                  V. 249  6339 1974      1HIPB 23REMARK   1  REFN   ASTM JBCHA3  US ISSN 0021-9258                  071  1HIPB 24REMARK   1 REFERENCE 3                                                  1HIPB 25REMARK   1  AUTH   C.W.CARTER *JUNIOR,S.T.FREER,N.H.XUONG,              1HIPG  1REMARK   1  AUTH 2 R.A.ALDEN,J.KRAUT                                    1HIPB 27REMARK   1  TITL   STRUCTURE OF THE IRON-SULFUR CLUSTER IN THE          1HIPB 28REMARK   1  TITL 2 CHROMATIUM IRON PROTEIN AT 2.25 ANGSTROMS            1HIPB 29REMARK   1  TITL 3 RESOLUTION                                           1HIPB 30REMARK   1  REF    COLD SPRING HARBOR SYMP.      V.  36   381 1972      1HIPB 31REMARK   1  REF  2 QUANT.BIOL.                                          1HIPB 32REMARK   1  REFN   ASTM CSHSAZ  US ISSN 0091-7451                  421  1HIPI  2REMARK   1 REFERENCE 4                                                  1HIPB 34REMARK   1  EDIT   R.J.FELDMANN                                         1HIPB 35REMARK   1  REF    ATLAS OF MACROMOLECULAR                142 1976      1HIPB 36REMARK   1  REF  2 STRUCTURE ON MICROFICHE                              1HIPB 37REMARK   1  PUBL   TRACOR JITCO INC.,ROCKVILLE,MD.                      1HIPB 38REMARK   1  REFN                   ISBN 0-917934-01-6              434  1HIPB 39REMARK   1 REFERENCE 5                                                  1HIPB 40REMARK   1  EDIT   M.O.DAYHOFF                                          1HIPB 41REMARK   1  REF    ATLAS OF PROTEIN SEQUENCE     V.   5    63 1976      1HIPB 42REMARK   1  REF  2 AND STRUCTURE,SUPPLEMENT 2                           1HIPB 43REMARK   1  PUBL   NATIONAL BIOMEDICAL RESEARCH FOUNDATION,             1HIPB 44REMARK   1  PUBL 2 SILVER SPRING,MD.                                    1HIPB 45REMARK   1  REFN                   ISBN 0-912466-05-7              435  1HIPB 46REMARK   2                                                              1HIP  27REMARK   2 RESOLUTION. 2.0 ANGSTROMS.                                   1HIPE  1REMARK   3                                                              1HIP  29REMARK   3 REFINEMENT. THE COORDINATES HAVE BEEN REFINED BY DIFFERENCE  1HIP  30REMARK   3  FOURIER METHODS TO AN R FACTOR OF 0.24, WITH BOND           1HIP  31REMARK   3  DISTANCES AND ANGLES CONSTRAINED TO THEIR EXPECTED VALUES.  1HIP  32REMARK   4                                                              1HIP  33REMARK   4 RESIDUE SEQUENCE IDENTIFIER 86 WAS ASSIGNED TO THE           1HIP  34REMARK   4 IRON/SULFUR CLUSTER BY THE DEPOSITOR.                        1HIP  35REMARK   5                                                              1HIP  36REMARK   5 A TOTAL OF SEVEN ATOMS COULD NOT BE LOCATED IN THE ELECTRON  1HIP  37REMARK   5 DENSITY MAP FOR THIS STRUCTURE AND THEIR COORDINATES ARE     1HIP  38REMARK   5 OMITTED FROM THIS LIST.  THESE ATOMS ARE - CD,CE AND NZ OF   1HIP  39REMARK   5 LYS 18, OG OF SER 26,CB OF ALA 32 AND CG AND NE2 OF GLN 50.  1HIP  40REMARK   6                                                              1HIPA  1REMARK   6 CORRECTION. IN RESIDUE TYR 19, ATOM OH WAS MISNAMED AS O,    1HIPA  2REMARK   6  WHICH NAME THEREFORE OCCURRED TWICE. IT HAS BEEN RENAMED    1HIPA  3REMARK   6  AND RESTORED TO ITS CORRECT POSITION AFTER CZ, THUS         1HIPA  4REMARK   6  NECESSITATING RENUMBERING OF THE INTERVENING ATOMS O        1HIPA  5REMARK   6  THROUGH CZ. (OH FORMERLY HAD SERIAL NUMBER 120 AND NOW      1HIPA  6REMARK   6  HAS 128.) BNL 03-JAN-77.                                    1HIPA  7REMARK   7                                                              1HIPB 47REMARK   7 CORRECTION. REFORMAT HEADER INFORMATION TO MEET NEW          1HIPB 48REMARK   7  SPECIFICATIONS.                                             1HIPB 49REMARK   7  ADD FORMUL RECORDS.                                         1HIPB 50REMARK   7  01-NOV-77.                                                  1HIPB 51REMARK   8                                                              1HIPC  2REMARK   8 CORRECTION. STANDARDIZE FORMAT OF SOURCE RECORD.             1HIPC  3REMARK   8  05-MAR-80.                                                  1HIPC  4REMARK   9                                                              1HIPD  1REMARK   9 CORRECTION. STANDARDIZE NOMENCLATURE TO FOLLOW IUPAC-IUB     1HIPD  2REMARK   9  RECOMMENDATIONS.  INTERCHANGE CD1 AND CD2 FOR LEUCINE       1HIPD  3REMARK   9  17.  07-APR-80.                                             1HIPD  4REMARK  10                                                              1HIPE  2REMARK  10 CORRECTION. STANDARDIZE FORMAT OF REMARK 2.  31-DEC-80.      1HIPE  3REMARK  11                                                              1HIPF  1REMARK  11 CORRECTION. CORRECT NAME OF ATOM 624 FROM O TO OXT.          1HIPF  2REMARK  11  07-MAR-83.                                                  1HIPF  3REMARK  12                                                              1HIPG  2REMARK  12 CORRECTION. CORRECT TYPESETTING CODE.  13-JUN-83.            1HIPG  3REMARK  13                                                              1HIPH 10REMARK  13 CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83.                1HIPH 11REMARK  14                                                              1HIPI  3REMARK  14 CORRECTION. CORRECT ISSN FOR REFERENCE 3.  31-MAY-84.        1HIPI  4REMARK  15                                                              1HIPJ  2REMARK  15 CORRECTION. STANDARDIZE RESIDUE NAME FOR IRON-SULFUR         1HIPJ  3REMARK  15  CLUSTER.  15-APR-93.                                        1HIPJ  4SEQRES   1     85  SER ALA PRO ALA ASN ALA VAL ALA ALA ASP ASN ALA THR  1HIP  41SEQRES   2     85  ALA ILE ALA LEU LYS TYR ASN GLN ASP ALA THR LYS SER  1HIP  42SEQRES   3     85  GLU ARG VAL ALA ALA ALA ARG PRO GLY LEU PRO PRO GLU  1HIP  43SEQRES   4     85  GLU GLN HIS CYS ALA ASP CYS GLN PHE MET GLN ALA ASP  1HIP  44SEQRES   5     85  ALA ALA GLY ALA THR ASP GLU TRP LYS GLY CYS GLN LEU  1HIP  45SEQRES   6     85  PHE PRO GLY LYS LEU ILE ASN VAL ASN GLY TRP CYS ALA  1HIP  46SEQRES   7     85  SER TRP THR LEU LYS ALA GLY                          1HIP  47HET    FS4     86       8     IRON/SULFUR CLUSTER                       1HIPJ  5FORMUL   2  FS4    FE4 S4                                               1HIPJ  6FORMUL   3  HOH   *144(H2 O1)                                           1HIPB 53HELIX    1  H1 ALA     12  ALA     16  1                                1HIP  49HELIX    2  H2 ARG     28  ALA     31  1                                1HIP  50SHEET    1  S1 3 PHE    48  GLN    50  0                                1HIP  51SHEET    2  S1 3 GLU    59  GLN    64 -1  N  GLN    50   O  GLY    62   1HIP  52SHEET    3  S1 3 LYS    69  VAL    73 -1  N  LYS    61   O  ILE    71   1HIP  53CRYST1   42.700   41.860   38.080  90.00  90.00  90.00 P 21 21 21    4  1HIP  54ORIGX1      1.000000  0.000000  0.000000       0.000000                 1HIP  55ORIGX2      0.000000  1.000000  0.000000       0.000000                 1HIP  56ORIGX3      0.000000  0.000000  1.000000       0.000000                 1HIP  57SCALE1       .023419  0.000000  0.000000        .168200                 1HIP  58SCALE2      0.000000   .023889  0.000000       -.331800                 1HIP  59SCALE3      0.000000  0.000000   .026261        .107400                 1HIP  60ATOM      1  N   SER     1      18.200  12.220  32.160  1.00  0.00      1HIP  61ATOM      2  CA  SER     1      18.330  10.860  31.630  1.00  0.00      1HIP  62ATOM      3  C   SER     1      17.540  10.740  30.320  1.00  0.00      1HIP  63ATOM      4  O   SER     1      16.380  11.200  30.230  1.00  0.00      1HIP  64ATOM      5  CB  SER     1      17.820   9.860  32.640  1.00  0.00      1HIP  65ATOM      6  OG  SER     1      17.920   8.530  32.150  1.00  0.00      1HIP  66ATOM      7  N   ALA     2      18.160  10.130  29.330  1.00  0.00      1HIP  67ATOM      8  CA  ALA     2      17.510   9.950  28.020  1.00  0.00      1HIP  68ATOM      9  C   ALA     2      16.590   8.740  28.070  1.00  0.00      1HIP  69ATOM     10  O   ALA     2      16.950   7.690  28.620  1.00  0.00      1HIP  70ATOM     11  CB  ALA     2      18.580   9.650  26.950  1.00  0.00      1HIP  71ATOM     12  N   PRO     3      15.410   8.890  27.480  1.00  0.00      1HIP  72ATOM     13  CA  PRO     3      14.430   7.800  27.450  1.00  0.00      1HIP  73ATOM     14  C   PRO     3      15.090   6.530  26.910  1.00  0.00      1HIP  74ATOM     15  O   PRO     3      16.130   6.590  26.220  1.00  0.00      1HIP  75ATOM     16  CB  PRO     3      13.320   8.310  26.580  1.00  0.00      1HIP  76ATOM     17  CG  PRO     3      13.960   9.340  25.670  1.00  0.00      1HIP  77ATOM     18  CD  PRO     3      15.090   9.930  26.510  1.00  0.00      1HIP  78ATOM     19  N   ALA     4      14.490   5.400  27.230  1.00  0.00      1HIP  79ATOM     20  CA  ALA     4      15.030   4.110  26.780  1.00  0.00      1HIP  80ATOM     21  C   ALA     4      14.670   3.890  25.310  1.00  0.00      1HIP  81ATOM     22  O   ALA     4      15.290   3.060  24.620  1.00  0.00      1HIP  82ATOM     23  CB  ALA     4      14.350   2.980  27.570  1.00  0.00      1HIP  83ATOM     24  N   ASN     5      13.680   4.640  24.850  1.00  0.00      1HIP  84ATOM     25  CA  ASN     5      13.240   4.520  23.450  1.00  0.00      1HIP  85ATOM     26  C   ASN     5      13.890   5.620  22.600  1.00  0.00      1HIP  86ATOM     27  O   ASN     5      13.360   6.010  21.550  1.00  0.00      1HIP  87ATOM     28  CB  ASN     5      11.690   4.610  23.380  1.00  0.00      1HIP  88ATOM     29  CG  ASN     5      11.140   5.530  24.440  1.00  0.00      1HIP  89ATOM     30  OD1 ASN     5      10.200   5.270  25.180  1.00  0.00      1HIP  90ATOM     31  ND2 ASN     5      11.830   6.720  24.610  1.00  0.00      1HIP  91ATOM     32  N   ALA     6      15.020   6.100  23.080  1.00  0.00      1HIP  92ATOM     33  CA  ALA     6      15.740   7.170  22.370  1.00  0.00      1HIP  93

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