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LongText Report for: 1CPY-pdb

Name Class
1CPY-pdb
HEADER    HYDROLASE (CARBOXYPEPTIDASE)            24-MAR-95   1CPY      1CPY   2
COMPND    MOL_ID: 1;                                                    1CPY   3
COMPND   2 MOLECULE: SERINE CARBOXYPEPTIDASE;                           1CPY   4
COMPND   3 CHAIN: NULL;                                                 1CPY   5
COMPND   4 EC: 3.4.16.5;                                                1CPY   6
COMPND   5 MUTATION: E65A, E145A                                        1CPY   7
SOURCE    MOL_ID: 1;                                                    1CPY   8
SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;               1CPY   9
SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST                               1CPY  10
EXPDTA    X-RAY DIFFRACTION                                             1CPY  11
AUTHOR    S.B.SORENSEN,M.RAASCHOU-NIELSEN,U.MORTENSEN,S.J.REMINGTON,    1CPY  12
AUTHOR   2 K.BREDDAM                                                    1CPY  13
REVDAT   1   15-SEP-95 1CPY    0                                        1CPY  14
JRNL        AUTH   S.B.SORENSEN,M.RAASCHOU-NIELSEN,U.H.MORTENSEN,       1CPY  15
JRNL        AUTH 2 S.J.REMINGTON,K.BREDDAM                              1CPY  16
JRNL        TITL   SITE-DIRECTED MUTAGENESIS ON (SERINE)                1CPY  17
JRNL        TITL 2 CARBOXYPEPTIDASE Y FROM YEAST. THE SIGNIFICANCE OF   1CPY  18
JRNL        TITL 3 THR 60 AND MET 398 IN HYDROLYSIS AND AMINOLYSIS      1CPY  19
JRNL        TITL 4 REACTIONS                                            1CPY  20
JRNL        REF    J.AM.CHEM.SOC.                V. 117  5944 1995      1CPY  21
JRNL        REFN   ASTM JACSAT  US ISSN 0002-7863                 0004  1CPY  22
REMARK   1                                                              1CPY  23
REMARK   1 REFERENCE 1                                                  1CPY  24
REMARK   1  AUTH   J.A.ENDRIZZI,K.BREDDAM,S.J.REMINGTON                 1CPY  25
REMARK   1  TITL   2.8 ANGSTROMS STRUCTURE OF YEAST SERINE              1CPY  26
REMARK   1  TITL 2 CARBOXYPEPTIDASE                                     1CPY  27
REMARK   1  REF    BIOCHEMISTRY                  V.  33 11106 1994      1CPY  28
REMARK   1  REFN   ASTM BICHAW  US ISSN 0006-2960                 0033  1CPY  29
REMARK   2                                                              1CPY  30
REMARK   2 RESOLUTION. 2.6  ANGSTROMS.                                  1CPY  31
REMARK   3                                                              1CPY  32
REMARK   3 REFINEMENT.                                                  1CPY  33
REMARK   3   PROGRAM     : TNT                                          1CPY  34
REMARK   3   AUTHORS     : TRONRUD,TEN EYCK,MATTHEWS                    1CPY  35
REMARK   3                                                              1CPY  36
REMARK   3  MODEL QUALITY.                                              1CPY  37
REMARK   3   R VALUE         (NO SIGMA CUTOFF) : 0.180                  1CPY  38
REMARK   3   SIGMA CUTOFF LEVEL                : 0.0                    1CPY  39
REMARK   3                                                              1CPY  40
REMARK   3  NUMBER OF ATOMS USED IN REFINEMENT.                         1CPY  41
REMARK   3   PROTEIN ATOMS            : 3245                            1CPY  42
REMARK   3   NUCLEIC ACID ATOMS       : 0                               1CPY  43
REMARK   3   HETEROGEN ATOMS          : 42                              1CPY  44
REMARK   3   SOLVENT ATOMS            : 38                              1CPY  45
REMARK   3                                                              1CPY  46
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.    RMS    WEIGHT  COUNT   1CPY  47
REMARK   3   BOND LENGTHS                 (A) : 0.023 ;       ;         1CPY  48
REMARK   3   BOND ANGLES            (DEGREES) : 3.3   ;       ;         1CPY  49
REMARK   3                                                              1CPY  50
REMARK   3  DATA COLLECTION.                                            1CPY  51
REMARK   3   NUMBER OF UNIQUE REFLECTIONS      14110                    1CPY  52
REMARK   3   RESOLUTION RANGE             20.0 - 2.6  ANGSTROMS         1CPY  53
REMARK   3   COMPLETENESS OF DATA              92.0   %                 1CPY  54
REMARK   3   REJECTION CRITERIA                0.0    SIGMA(I)          1CPY  55
REMARK   4                                                              1CPY  56
REMARK   4 IN *SITE RECORDS BELOW, CAT REFERS TO CATALYTIC RESIDUES,    1CPY  57
REMARK   4 CBS REFERS TO CARBOXYLATE BINDING SITE, S1P REFERS TO A      1CPY  58
REMARK   4 S1' SUBSITE (BINDS C-TERMINAL SIDE CHAIN), AND S1S REFERS    1CPY  59
REMARK   4 TO A S1 SUBSITE (BINDS PENULTIMATE SIDE CHAIN).              1CPY  60
REMARK   5                                                              1CPY  61
REMARK   5 THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED.  IN      1CPY  62
REMARK   5 ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW,  1CPY  63
REMARK   5 TWO SHEETS ARE DEFINED.  STRANDS 1, 2, 3, 5, 6, 7, 8, 9, 10  1CPY  64
REMARK   5 AND 11 OF S1A AND S1B ARE IDENTICAL.                         1CPY  65
REMARK   6                                                              1CPY  66
REMARK   6 SOME SURFACE LOOPS ARE POORLY DEFINED AND HAVE HIGH          1CPY  67
REMARK   6 B-VALUES, INCLUDING RESIDUES 1 - 17, 23 - 26, 105 - 108,     1CPY  68
REMARK   6 134 - 138, 263 - 266, 282 - 286, 375 - 376.                  1CPY  69
REMARK   6                                                              1CPY  70
REMARK   6 PDB ADVISORY NOTICE:                                         1CPY  71
REMARK   6 RESIDUES ILE 275, ILE 302 AND ILE 415 HAVE A CHIRALITY       1CPY  72
REMARK   6 PROBLEM.                                                     1CPY  73
REMARK   7                                                              1CPY  74
REMARK   7 SIDE CHAIN ATOMS OF RESIDUES ARE MISSING BECAUSE THE         1CPY  75
REMARK   7 ELECTRON DENSITY WAS ILL-DEFINED.                            1CPY  76
REMARK  19                                                              1CPY  77
REMARK  19 MATTHEWS COEFFICIENT (VM) : 2.1  ANGSTROMS**3/DA             1CPY  78
REMARK 999                                                              1CPY  79
REMARK 999 CROSS REFERENCE TO SEQUENCE DATABASE                         1CPY  80
REMARK 999 SWISS-PROT ENTRY NAME       PDB ENTRY CHAIN NAME             1CPY  81
REMARK 999    CBPY_YEAST                                                1CPY  82
SEQRES   1    421  LYS ILE LYS ASP PRO LYS ILE LEU GLY ILE ASP PRO ASN  1CPY  83
SEQRES   2    421  VAL THR GLN TYR THR GLY TYR LEU ASP VAL GLU ASP GLU  1CPY  84
SEQRES   3    421  ASP LYS HIS PHE PHE PHE TRP THR PHE GLU SER ARG ASN  1CPY  85
SEQRES   4    421  ASP PRO ALA LYS ASP PRO VAL ILE LEU TRP LEU ASN GLY  1CPY  86
SEQRES   5    421  GLY PRO GLY CYS SER SER LEU THR GLY LEU PHE PHE ALA  1CPY  87
SEQRES   6    421  LEU GLY PRO SER SER ILE GLY PRO ASP LEU LYS PRO ILE  1CPY  88
SEQRES   7    421  GLY ASN PRO TYR SER TRP ASN SER ASN ALA THR VAL ILE  1CPY  89
SEQRES   8    421  PHE LEU ASP GLN PRO VAL ASN VAL GLY PHE SER TYR SER  1CPY  90
SEQRES   9    421  GLY SER SER GLY VAL SER ASN THR VAL ALA ALA GLY LYS  1CPY  91
SEQRES  10    421  ASP VAL TYR ASN PHE LEU GLU LEU PHE PHE ASP GLN PHE  1CPY  92
SEQRES  11    421  PRO GLU TYR VAL ASN LYS GLY GLN ASP PHE HIS ILE ALA  1CPY  93
SEQRES  12    421  GLY ALA SER TYR ALA GLY HIS TYR ILE PRO VAL PHE ALA  1CPY  94
SEQRES  13    421  SER GLU ILE LEU SER HIS LYS ASP ARG ASN PHE ASN LEU  1CPY  95
SEQRES  14    421  THR SER VAL LEU ILE GLY ASN GLY LEU THR ASP PRO LEU  1CPY  96
SEQRES  15    421  THR GLN TYR ASN TYR TYR GLU PRO MET ALA CYS GLY GLU  1CPY  97
SEQRES  16    421  GLY GLY GLU PRO SER VAL LEU PRO SER GLU GLU CYS SER  1CPY  98
SEQRES  17    421  ALA MET GLU ASP SER LEU GLU ARG CYS LEU GLY LEU ILE  1CPY  99
SEQRES  18    421  GLU SER CYS TYR ASP SER GLN SER VAL TRP SER CYS VAL  1CPY 100
SEQRES  19    421  PRO ALA THR ILE TYR CYS ASN ASN ALA GLN LEU ALA PRO  1CPY 101
SEQRES  20    421  TYR GLN ARG THR GLY ARG ASN VAL TYR ASP ILE ARG LYS  1CPY 102
SEQRES  21    421  ASP CYS GLU GLY GLY ASN LEU CYS TYR PRO THR LEU GLN  1CPY 103
SEQRES  22    421  ASP ILE ASP ASP TYR LEU ASN GLN ASP TYR VAL LYS GLU  1CPY 104
SEQRES  23    421  ALA VAL GLY ALA GLU VAL ASP HIS TYR GLU SER CYS ASN  1CPY 105
SEQRES  24    421  PHE ASP ILE ASN ARG ASN PHE LEU PHE ALA GLY ASP TRP  1CPY 106
SEQRES  25    421  MET LYS PRO TYR HIS THR ALA VAL THR ASP LEU LEU ASN  1CPY 107
SEQRES  26    421  GLN ASP LEU PRO ILE LEU VAL TYR ALA GLY ASP LYS ASP  1CPY 108
SEQRES  27    421  PHE ILE CYS ASN TRP LEU GLY ASN LYS ALA TRP THR ASP  1CPY 109
SEQRES  28    421  VAL LEU PRO TRP LYS TYR ASP GLU GLU PHE ALA SER GLN  1CPY 110
SEQRES  29    421  LYS VAL ARG ASN TRP THR ALA SER ILE THR ASP GLU VAL  1CPY 111
SEQRES  30    421  ALA GLY GLU VAL LYS SER TYR LYS HIS PHE THR TYR LEU  1CPY 112
SEQRES  31    421  ARG VAL PHE ASN GLY GLY HIS MET VAL PRO PHE ASP VAL  1CPY 113
SEQRES  32    421  PRO GLU ASN ALA LEU SER MET VAL ASN GLU TRP ILE HIS  1CPY 114
SEQRES  33    421  GLY GLY PHE SER LEU                                  1CPY 115
FTNOTE   1                                                              1CPY 116
FTNOTE   1 CIS PROLINE - PRO      54                                    1CPY 117
FTNOTE   2                                                              1CPY 118
FTNOTE   2 CIS PROLINE - PRO      96                                    1CPY 119
HET    NAG    871      14     N-ACETYL-D-GLUCOSAMINE                    1CPY 120
HET    NAG   1681      14     N-ACETYL-D-GLUCOSAMINE                    1CPY 121
HET    NAG   3681      14     N-ACETYL-D-GLUCOSAMINE                    1CPY 122
FORMUL   2  NAG    3(C8 H15 N1 O6)                                      1CPY 123
FORMUL   3  HOH   *38(H2 O1)                                            1CPY 124
HELIX    1   A LEU     59  LEU     62  1                                1CPY 125
HELIX    2   B TRP     84  ASN     87  5                                1CPY 126
HELIX    3   C VAL    113  GLN    129  1                                1CPY 127
HELIX    4   D PRO    131  TYR    133  5                                1CPY 128
HELIX    5   E ALA    148  LEU    160  1                                1CPY 129
HELIX    6   F PRO    181  ALA    192  1                                1CPY 130
HELIX    7   G SER    204  SER    227  1                                1CPY 131
HELIX    8   H VAL    230  THR    251  1                                1CPY 132
HELIX    9   I THR    271  ASN    280  1                                1CPY 133
HELIX   10   J ASP    282  ALA    287  1                                1CPY 134
HELIX   11   K PHE    300  LEU    307  1                                1CPY 135
HELIX   12   L ASP    311  MET    313  5                                1CPY 136
HELIX   13   M HIS    317  ASN    325  1                                1CPY 137
HELIX   14   N TRP    343  THR    350  1                                1CPY 138
HELIX   15   O GLU    359  SER    363  1                                1CPY 139
HELIX   16   P VAL    399  ASP    402  1                                1CPY 140
HELIX   17   Q PRO    404  ILE    415  1                                1CPY 141
SHEET    1 S1A11 LYS     1  LYS     3  0                                1CPY 142
SHEET    2 S1A11 TYR    17  VAL    23 -1                                1CPY 143
SHEET    3 S1A11 LYS    28  PHE    35  1                                1CPY 144
SHEET    4 S1A11 THR    89  ILE    91 -1                                1CPY 145
SHEET    5 S1A11 VAL    46  LEU    50 -1                                1CPY 146
SHEET    6 S1A11 PHE   140  ALA   145 -1                                1CPY 147
SHEET    7 S1A11 LEU   169  GLY   175 -1                                1CPY 148
SHEET    8 S1A11 ILE   330  GLY   335 -1                                1CPY 149
SHEET    9 S1A11 PHE   387  VAL   392 -1                                1CPY 150
SHEET   10 S1A11 VAL   377  TYR   384  1                                1CPY 151
SHEET   11 S1A11 ARG   367  THR   370 -1                                1CPY 152
SHEET    1 S1B11 LYS     1  LYS     3  0                                1CPY 153
SHEET    2 S1B11 TYR    17  VAL    23 -1                                1CPY 154
SHEET    3 S1B11 LYS    28  PHE    35  1                                1CPY 155
SHEET    4 S1B11 TYR   103  SER   104 -1                                1CPY 156
SHEET    5 S1B11 VAL    46  LEU    50 -1                                1CPY 157
SHEET    6 S1B11 PHE   140  ALA   145 -1                                1CPY 158
SHEET    7 S1B11 LEU   169  GLY   175 -1                                1CPY 159
SHEET    8 S1B11 ILE   330  GLY   335 -1                                1CPY 160
SHEET    9 S1B11 PHE   387  VAL   392 -1                                1CPY 161
SHEET   10 S1B11 VAL   377  TYR   384  1                                1CPY 162
SHEET   11 S1B11 ARG   367  THR   370 -1                                1CPY 163
TURN     1  T1 GLU    24  ASP    27     HIGH BETA-LOOP                  1CPY 164
TURN     2  T2 GLY    52  GLY    55                                     1CPY 165
TURN     3  T3 GLY    72  LEU    75                                     1CPY 166
TURN     4  T4 ASN    85  ALA    88                                     1CPY 167
TURN     5  T5 PRO    96  VAL    99                                     1CPY 168
TURN     6  T6 VAL    99  SER   102                                     1CPY 169
TURN     7  T7 VAL   134  GLY   137                                     1CPY 170
TURN     8  T8 ALA   145  ALA   148                                     1CPY 171
TURN     9  T9 GLN   249  GLY   252                                     1CPY 172
TURN    10 T10 ASN   254  ASP   257     3.6 ANGSTROMS                   1CPY 173
SSBOND   1 CYS     56    CYS    298                                     1CPY 174
SSBOND   2 CYS    193    CYS    207                                     1CPY 175
SSBOND   3 CYS    217    CYS    240                                     1CPY 176
SSBOND   4 CYS    224    CYS    233                                     1CPY 177
SSBOND   5 CYS    262    CYS    268                                     1CPY 178
SITE     1 CAT  4 SER   146  ASP   338  HIS   397  ALA   145            1CPY 179
SITE     1 CBS  4 ASN    51  GLY    52  ALA   145  HIS   397            1CPY 180
SITE     1 S1P  7 THR    60  PHE    64  ALA    65  TYR   256            1CPY 181
SITE     2 S1P  7 TYR   269  LEU   272  MET   398                       1CPY 182
SITE     1 S1S  6 TYR   147  LEU   178  LEU   245  TRP   312            1CPY 183
SITE     2 S1S  6 ILE   340  CYS   341                                  1CPY 184
CRYST1  112.000  112.000  112.000  90.00  90.00  90.00 P 21 3       12  1CPY 185
ORIGX1      1.000000  0.000000  0.000000        0.00000                 1CPY 186
ORIGX2      0.000000  1.000000  0.000000        0.00000                 1CPY 187
ORIGX3      0.000000  0.000000  1.000000        0.00000                 1CPY 188
SCALE1      0.008929  0.000000  0.000000        0.00000                 1CPY 189
SCALE2      0.000000  0.008929  0.000000        0.00000                 1CPY 190
SCALE3      0.000000  0.000000  0.008929        0.00000                 1CPY 191

Send your questions or comments to :
Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
For technical information about these pages see:
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