longtext: 1LPO-pdb

content
HEADER    HYDROLASE                               13-JAN-95   1LPO      1LPO   2
COMPND    LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL LIPASE) COMPLEXED WITH  1LPO   3
COMPND   2 HEXADECANESULFONATE                                          1LPO   4
SOURCE    YEAST (CANDIDA RUGOSA) (FORMERLY CANDIDA CYLINDRACEA)         1LPO   5
AUTHOR    P.G.GROCHULSKI,M.C.CYGLER                                     1LPO   6
REVDAT   1   20-APR-95 1LPO    0                                        1LPO   7
JRNL        AUTH   P.GROCHULSKI,F.BOUTHILLIER,R.J.KAZLAUSKAS,           1LPO   8
JRNL        AUTH 2 A.N.SERREGI,J.D.SCHRAG,E.ZIOMEK,M.CYGLER             1LPO   9
JRNL        TITL   ANALOGS OF REACTION INTERMEDIATES IDENTIFY A         1LPO  10
JRNL        TITL 2 UNIQUE SUBSTRATE BINDING SITE IN CANDIDA RUGOSA      1LPO  11
JRNL        TITL 3 LIPASE                                               1LPO  12
JRNL        REF    BIOCHEMISTRY                  V.  33  3494 1994      1LPO  13
JRNL        REFN   ASTM BICHAW  US ISSN 0006-2960                 0033  1LPO  14
REMARK   1                                                              1LPO  15
REMARK   1 REFERENCE 1                                                  1LPO  16
REMARK   1  AUTH   P.GROCHULSKI,Y.LI,J.D.SCHRAG,M.CYGLER                1LPO  17
REMARK   1  TITL   TWO CONFORMATIONAL STATES OF CANDIDA RUGOSA LIPASE   1LPO  18
REMARK   1  REF    PROTEIN SCI.                  V.   3    82 1994      1LPO  19
REMARK   1  REFN   ASTM PRCIEI  US ISSN 0961-8368                 0795  1LPO  20
REMARK   1 REFERENCE 2                                                  1LPO  21
REMARK   1  AUTH   M.CYGLER,P.GROCHULSKI,R.J.KAZLAUSKAS,J.D.SCHRAG,     1LPO  22
REMARK   1  AUTH 2 F.BOUTHILLIER,B.RUBIN,A.N.SERREGI,A.K.GUPTA          1LPO  23
REMARK   1  TITL   A STRUCTURAL BASIS FOR THE CHIRAL PREFERENCES OF     1LPO  24
REMARK   1  TITL 2 LIPASES                                              1LPO  25
REMARK   1  REF    J.AM.CHEM.SOC.                V. 116  3180 1994      1LPO  26
REMARK   1  REFN   ASTM JACSAT  US ISSN 0002-7863                 0004  1LPO  27
REMARK   1 REFERENCE 3                                                  1LPO  28
REMARK   1  AUTH   P.GROCHULSKI,Y.LI,J.D.SCHRAG,F.BOUTHILLIER,P.SMITH,  1LPO  29
REMARK   1  AUTH 2 D.HARRISON,B.RUBIN,M.CYGLER                          1LPO  30
REMARK   1  TITL   INSIGHTS INTO INTERFACIAL ACTIVATION FROM AN OPEN    1LPO  31
REMARK   1  TITL 2 STRUCTURE OF CANDIDA RUGOSA LIPASE                   1LPO  32
REMARK   1  REF    J.BIOL.CHEM.                  V. 268 12843 1993      1LPO  33
REMARK   1  REFN   ASTM JBCHA3  US ISSN 0021-9258                 0071  1LPO  34
REMARK   2                                                              1LPO  35
REMARK   2 RESOLUTION. 2.2  ANGSTROMS.                                  1LPO  36
REMARK   3                                                              1LPO  37
REMARK   3 REFINEMENT.                                                  1LPO  38
REMARK   3   PROGRAM                    X-PLOR                          1LPO  39
REMARK   3   AUTHORS                    BRUNGER                         1LPO  40
REMARK   3   R VALUE                    0.149                           1LPO  41
REMARK   3   MEAN B VALUE               18.3   ANGSTROMS**2             1LPO  42
REMARK   3   NUMBER OF REFLECTIONS      26019                           1LPO  43
REMARK   3   RESOLUTION RANGE        8. - 2.18 ANGSTROMS                1LPO  44
REMARK   3   DATA CUTOFF                4.     SIGMA(F)                 1LPO  45
REMARK   3   RMSD BOND DISTANCES        0.011  ANGSTROMS                1LPO  46
REMARK   3   RMSD BOND ANGLES           1.75   DEGREES                  1LPO  47
REMARK   3                                                              1LPO  48
REMARK   3  DATA COLLECTION.                                            1LPO  49
REMARK   3   NUMBER OF UNIQUE REFLECTIONS      26760                    1LPO  50
REMARK   3   COMPLETENESS OF DATA              90.1   %                 1LPO  51
REMARK   3   REJECTION CRITERIA                2.     SIGMA(I)          1LPO  52
REMARK   3                                                              1LPO  53
REMARK   3  SOLVENT CONTENT (VS)               48.    %                 1LPO  54
REMARK   3                                                              1LPO  55
REMARK   3  NUMBER OF ATOMS USED IN REFINEMENT.                         1LPO  56
REMARK   3   NUMBER OF PROTEIN ATOMS                       4022         1LPO  57
REMARK   3   NUMBER OF NUCLEIC ACID ATOMS                     0         1LPO  58
REMARK   3   NUMBER OF HETEROGEN ATOMS                       63         1LPO  59
REMARK   3   NUMBER OF SOLVENT ATOMS                        179         1LPO  60
REMARK   4                                                              1LPO  61
REMARK   4 EXPERIMENTAL DETAILS                                         1LPO  62
REMARK   4   SINGLE CRYSTAL X-RAY DIFFRACTION                           1LPO  63
REMARK   4   MONOCHROMATIC RADIATION                                    1LPO  64
REMARK   4   DATE OF DATA-COLLECTION (DD-MON-YY) : 02-05-93             1LPO  65
REMARK   4   WAVELENGTH OR WAVELENGTH RANGE      : CUKA                 1LPO  66
REMARK   4   DETECTOR TYPE/MANUFACTURER          : RAXIS II             1LPO  67
REMARK   4   INTENSITY-INTEGRATION SOFTWARE      : RAXIS SOFTWARE       1LPO  68
REMARK   4   DATA REDUNDANCY                     : 2.9                  1LPO  69
REMARK   5                                                              1LPO  70
REMARK   5 KEYWDS: CARBOXYLIC ESTERASE, CRL                             1LPO  71
REMARK   6                                                              1LPO  72
REMARK   6 SOURCE                                                       1LPO  73
REMARK   6   INHIBITED BY HEXADECANESULFONYL CHLORIDE (1:4).            1LPO  74
REMARK   6   MOLECULE_NAME: HEXADECANESULFONYL CHLORIDE.  AFTER         1LPO  75
REMARK   6   REACTION WITH CRL LIPASE THE MOLECULE FOUND IN THE         1LPO  76
REMARK   6   CRYSTAL IS HEXADECANESULFONATE COMPLEX.                    1LPO  77
REMARK   7                                                              1LPO  78
REMARK   7 CA 590 AND WATER HOH 729 ARE IN SPECIAL POSITIONS.           1LPO  79
REMARK  36                                                              1LPO  80
REMARK  36 TOPIC: STEREOCHEMISTRY                                       1LPO  81
REMARK  36                                                              1LPO  82
REMARK  36 SUBTOPIC: BOND LENGTHS                   (36.1)              1LPO  83
REMARK  36                                                              1LPO  84
REMARK  36 STANDARD TEXT:                                               1LPO  85
REMARK  36                                                              1LPO  86
REMARK  36  THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES     1LPO  87
REMARK  36  HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE      1LPO  88
REMARK  36  THAN 4*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN      1LPO  89
REMARK  36  IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).        1LPO  90
REMARK  36                                                              1LPO  91
REMARK  36 STANDARD TABLE:                                              1LPO  92
REMARK  36 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,A4,3X,A4,16X,F5.1)         1LPO  93
REMARK  36                                                              1LPO  94
REMARK  36  EXPECTED VALUES: ENGH AND HUBER, 1991                       1LPO  95
REMARK  36                                                              1LPO  96
REMARK  36  M RES CSSEQI ATM1   ATM2       DEVIATION_IN_ANGSTROMS       1LPO  97
REMARK  36                                                              1LPO  98
REMARK  36  0 PRO    58   CB  -  CG                 0.041               1LPO  99
REMARK  36  0 MET    61   SD  -  CE                 0.060               1LPO 100
REMARK  36  0 VAL   154   CB  -  CA                 0.046               1LPO 101
REMARK  36  0 GLU   172   CB  -  CG                 0.041               1LPO 102
REMARK  36  0 MET   186   SD  -  CE                 0.064               1LPO 103
REMARK  36  0 SER   209   CB  -  OG                 0.044               1LPO 104
REMARK  36  0 MET   244   SD  -  CE                 0.078               1LPO 105
REMARK  36  0 MET   319   SD  -  CE                 0.044               1LPO 106
REMARK  36  0 VAL   454   CB  -  CA                 0.043               1LPO 107
REMARK  36  0 MET   503   SD  -  CE                 0.051               1LPO 108
REMARK  36  0 PRO   529   CB  -  CG                 0.044               1LPO 109
REMARK  36                                                              1LPO 110
REMARK  36 TOPIC: STEREOCHEMISTRY                                       1LPO 111
REMARK  36                                                              1LPO 112
REMARK  36 SUBTOPIC: COVALENT BOND ANGLES           (36.2)              1LPO 113
REMARK  36                                                              1LPO 114
REMARK  36 STANDARD TEXT:                                               1LPO 115
REMARK  36                                                              1LPO 116
REMARK  36  THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES     1LPO 117
REMARK  36  HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE      1LPO 118
REMARK  36  THAN 4*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN      1LPO 119
REMARK  36  IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).        1LPO 120
REMARK  36                                                              1LPO 121
REMARK  36 STANDARD TABLE:                                              1LPO 122
REMARK  36 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(2X,A4,17X,F5.1)          1LPO 123
REMARK  36                                                              1LPO 124
REMARK  36  EXPECTED VALUES: ENGH AND HUBER, 1991                       1LPO 125
REMARK  36                                                              1LPO 126
REMARK  36  M RES CSSEQI ATM1   ATM2   ATM3                             1LPO 127
REMARK  36                                                              1LPO 128
REMARK  36  0 PHE    23   N   -  CA  -  C   ANGL. DEV. =   9.3 DEGREES  1LPO 129
REMARK  36  0 SER    45   N   -  CA  -  C   ANGL. DEV. =   8.1 DEGREES  1LPO 130
REMARK  36  0 THR    54   N   -  CA  -  C   ANGL. DEV. =   7.4 DEGREES  1LPO 131
REMARK  36  0 SER    59   N   -  CA  -  C   ANGL. DEV. =   6.8 DEGREES  1LPO 132
REMARK  36  0 ASP    96   N   -  CA  -  C   ANGL. DEV. =   9.6 DEGREES  1LPO 133
REMARK  36  0 LEU   118   CA  -  CB  -  CG  ANGL. DEV. =   6.6 DEGREES  1LPO 134
REMARK  36  0 ILE   120   N   -  CA  -  C   ANGL. DEV. =   6.4 DEGREES  1LPO 135
REMARK  36  0 ASN   155   N   -  CA  -  C   ANGL. DEV. =   6.9 DEGREES  1LPO 136
REMARK  36  0 ASN   192   N   -  CA  -  C   ANGL. DEV. =  10.0 DEGREES  1LPO 137
REMARK  36  0 ILE   193   N   -  CA  -  C   ANGL. DEV. =   6.7 DEGREES  1LPO 138
REMARK  36  0 TYR   228   N   -  CA  -  C   ANGL. DEV. =   8.2 DEGREES  1LPO 139
REMARK  36  0 GLY   230   N   -  CA  -  C   ANGL. DEV. =   6.9 DEGREES  1LPO 140
REMARK  36  0 ASP   273   N   -  CA  -  C   ANGL. DEV. =   6.6 DEGREES  1LPO 141
REMARK  36  0 THR   293   N   -  CA  -  C   ANGL. DEV. =  12.6 DEGREES  1LPO 142
REMARK  36  0 PRO   294   N   -  CA  -  C   ANGL. DEV. =   8.4 DEGREES  1LPO 143
REMARK  36  0 GLY   295   N   -  CA  -  C   ANGL. DEV. =   6.8 DEGREES  1LPO 144
REMARK  36  0 PHE   296   N   -  CA  -  C   ANGL. DEV. =   7.7 DEGREES  1LPO 145
REMARK  36  0 LEU   302   N   -  CA  -  C   ANGL. DEV. =   6.4 DEGREES  1LPO 146
REMARK  36  0 ARG   303   N   -  CA  -  C   ANGL. DEV. =  11.7 DEGREES  1LPO 147
REMARK  36  0 LEU   304   N   -  CA  -  C   ANGL. DEV. =   6.7 DEGREES  1LPO 148
REMARK  36  0 LEU   307   CA  -  CB  -  CG  ANGL. DEV. =   7.2 DEGREES  1LPO 149
REMARK  36  0 ILE   315   N   -  CA  -  C   ANGL. DEV. =  15.6 DEGREES  1LPO 150
REMARK  36  0 THR   316   N   -  CA  -  C   ANGL. DEV. =   8.9 DEGREES  1LPO 151
REMARK  36  0 ASP   318   N   -  CA  -  C   ANGL. DEV. =   7.3 DEGREES  1LPO 152
REMARK  36  0 MET   319   N   -  CA  -  C   ANGL. DEV. =   6.4 DEGREES  1LPO 153
REMARK  36  0 ILE   334   N   -  CA  -  C   ANGL. DEV. =  10.5 DEGREES  1LPO 154
REMARK  36  0 GLN   338   N   -  CA  -  C   ANGL. DEV. =  10.7 DEGREES  1LPO 155
REMARK  36  0 GLY   342   N   -  CA  -  C   ANGL. DEV. =   9.9 DEGREES  1LPO 156
REMARK  36  0 VAL   352   N   -  CA  -  C   ANGL. DEV. =   8.1 DEGREES  1LPO 157
REMARK  36  0 THR   379   N   -  CA  -  C   ANGL. DEV. =   6.9 DEGREES  1LPO 158
REMARK  36  0 GLY   388   N   -  CA  -  C   ANGL. DEV. =   7.1 DEGREES  1LPO 159
REMARK  36  0 PRO   390   C-1 -  N   -  CA  ANGL. DEV. =   9.9 DEGREES  1LPO 160
REMARK  36  0 LEU   399   CA  -  CB  -  CG  ANGL. DEV. =   7.8 DEGREES  1LPO 161
REMARK  36  0 THR   400   N   -  CA  -  C   ANGL. DEV. =   8.0 DEGREES  1LPO 162
REMARK  36  0 PHE   415   N   -  CA  -  C   ANGL. DEV. =   7.3 DEGREES  1LPO 163
REMARK  36  0 THR   416   N   -  CA  -  C   ANGL. DEV. =  11.3 DEGREES  1LPO 164
REMARK  36  0 LEU   445   N   -  CA  -  C   ANGL. DEV. =   8.4 DEGREES  1LPO 165
REMARK  36  0 THR   447   N   -  CA  -  C   ANGL. DEV. =   7.4 DEGREES  1LPO 166
REMARK  36  0 PHE   448   N   -  CA  -  C   ANGL. DEV. =   9.8 DEGREES  1LPO 167
REMARK  36  0 SER   450   N   -  CA  -  C   ANGL. DEV. =   7.5 DEGREES  1LPO 168
REMARK  36  0 ASP   457   N   -  CA  -  C   ANGL. DEV. =   7.1 DEGREES  1LPO 169
REMARK  36  0 TYR   458   N   -  CA  -  C   ANGL. DEV. =   8.7 DEGREES  1LPO 170
REMARK  36  0 LEU   460   CA  -  CB  -  CG  ANGL. DEV. =   7.3 DEGREES  1LPO 171
REMARK  36  0 LEU   485   N   -  CA  -  C   ANGL. DEV. =   7.3 DEGREES  1LPO 172
REMARK  36  0 LEU   486   CA  -  CB  -  CG  ANGL. DEV. =   6.9 DEGREES  1LPO 173
REMARK  36  0 LEU   502   CA  -  CB  -  CG  ANGL. DEV. =   7.9 DEGREES  1LPO 174
REMARK  36  0 MET   503   N   -  CA  -  C   ANGL. DEV. =  10.4 DEGREES  1LPO 175
REMARK  36  0 MET   504   CB  -  CG  -  SD  ANGL. DEV. =   6.5 DEGREES  1LPO 176
REMARK  36  0 LEU   525   CA  -  CB  -  CG  ANGL. DEV. =  10.6 DEGREES  1LPO 177
REMARK  36  0 PHE   526   N   -  CA  -  C   ANGL. DEV. =  10.4 DEGREES  1LPO 178
REMARK  36  0 ASN   528   N   -  CA  -  C   ANGL. DEV. =   7.6 DEGREES  1LPO 179
REMARK  36  0 PRO   530   N   -  CA  -  C   ANGL. DEV. =   8.0 DEGREES  1LPO 180
REMARK  36                                                              1LPO 181
REMARK  36 TOPIC: STEREOCHEMISTRY                                       1LPO 182
REMARK  36                                                              1LPO 183
REMARK  36 SUBTOPIC: TORSION ANGLES                 (36.4)              1LPO 184
REMARK  36                                                              1LPO 185
REMARK  36 STANDARD TEXT:                                               1LPO 186
REMARK  36                                                              1LPO 187
REMARK  36  TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:   1LPO 188
REMARK  36  (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;      1LPO 189
REMARK  36  SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                    1LPO 190
REMARK  36                                                              1LPO 191
REMARK  36 STANDARD TABLE:                                              1LPO 192
REMARK  36 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)            1LPO 193
REMARK  36                                                              1LPO 194
REMARK  36  M RES CSSEQI        PSI       PHI                           1LPO 195
REMARK  36                                                              1LPO 196
REMARK  36  0 ILE    18       71.34    -62.27                           1LPO 197
REMARK  36  0 PHE    38       62.07     -2.65                           1LPO 198
REMARK  36  0 THR    68      177.42    162.17                           1LPO 199
REMARK  36  0 SER   159       65.72   -147.29                           1LPO 200
REMARK  36  0 SER   209       53.26   -119.06                           1LPO 201
REMARK  36  0 ALA   243     -127.41   -124.60                           1LPO 202
REMARK  36  0 SER   301       55.20   -128.81                           1LPO 203
REMARK  36  0 VAL   444       65.33    -46.26                           1LPO 204
REMARK 999                                                              1LPO 205
REMARK 999 CROSS REFERENCE TO SEQUENCE DATABASE                         1LPO 206
REMARK 999 SWISS-PROT ENTRY NAME       PDB ENTRY CHAIN NAME             1LPO 207
REMARK 999    LIP1_CANRU                                                1LPO 208
SEQRES   1    549  MET GLU LEU ALA LEU ALA LEU SER LEU ILE ALA SER VAL  1LPO 209
SEQRES   2    549  ALA ALA ALA PRO THR ALA THR LEU ALA ASN GLY ASP THR  1LPO 210
SEQRES   3    549  ILE THR GLY LEU ASN ALA ILE ILE ASN GLU ALA PHE LEU  1LPO 211
SEQRES   4    549  GLY ILE PRO PHE ALA GLU PRO PRO VAL GLY ASN LEU ARG  1LPO 212
SEQRES   5    549  PHE LYS ASP PRO VAL PRO TYR SER GLY SER LEU ASP GLY  1LPO 213
SEQRES   6    549  GLN LYS PHE THR SER TYR GLY PRO SER CYS MET GLN GLN  1LPO 214
SEQRES   7    549  ASN PRO GLU GLY THR TYR GLU GLU ASN LEU PRO LYS ALA  1LPO 215
SEQRES   8    549  ALA LEU ASP LEU VAL MET GLN SER LYS VAL PHE GLU ALA  1LPO 216
SEQRES   9    549  VAL SER PRO SER SER GLU ASP CYS LEU THR ILE ASN VAL  1LPO 217
SEQRES  10    549  VAL ARG PRO PRO GLY THR LYS ALA GLY ALA ASN LEU PRO  1LPO 218
SEQRES  11    549  VAL MET LEU TRP ILE PHE GLY GLY GLY PHE GLU VAL GLY  1LPO 219
SEQRES  12    549  GLY THR SER THR PHE PRO PRO ALA GLN MET ILE THR LYS  1LPO 220
SEQRES  13    549  SER ILE ALA MET GLY LYS PRO ILE ILE HIS VAL SER VAL  1LPO 221
SEQRES  14    549  ASN TYR ARG VAL SER SER TRP GLY PHE LEU ALA GLY ASP  1LPO 222
SEQRES  15    549  GLU ILE LYS ALA GLU GLY SER ALA ASN ALA GLY LEU LYS  1LPO 223
SEQRES  16    549  ASP GLN ARG LEU GLY MET GLN TRP VAL ALA ASP ASN ILE  1LPO 224
SEQRES  17    549  ALA ALA PHE GLY GLY ASP PRO THR LYS VAL THR ILE PHE  1LPO 225
SEQRES  18    549  GLY GLU SER ALA GLY SER MET SER VAL MET CYS HIS ILE  1LPO 226
SEQRES  19    549  LEU TRP ASN ASP GLY ASP ASN THR TYR LYS GLY LYS PRO  1LPO 227
SEQRES  20    549  LEU PHE ARG ALA GLY ILE MET GLN SER GLY ALA MET VAL  1LPO 228
SEQRES  21    549  PRO SER ASP ALA VAL ASP GLY ILE TYR GLY ASN GLU ILE  1LPO 229
SEQRES  22    549  PHE ASP LEU LEU ALA SER ASN ALA GLY CYS GLY SER ALA  1LPO 230
SEQRES  23    549  SER ASP LYS LEU ALA CYS LEU ARG GLY VAL SER SER ASP  1LPO 231
SEQRES  24    549  THR LEU GLU ASP ALA THR ASN ASN THR PRO GLY PHE LEU  1LPO 232
SEQRES  25    549  ALA TYR SER SER LEU ARG LEU SER TYR LEU PRO ARG PRO  1LPO 233
SEQRES  26    549  ASP GLY VAL ASN ILE THR ASP ASP MET TYR ALA LEU VAL  1LPO 234
SEQRES  27    549  ARG GLU GLY LYS TYR ALA ASN ILE PRO VAL ILE ILE GLY  1LPO 235
SEQRES  28    549  ASP GLN ASN ASP GLU GLY THR PHE PHE GLY THR SER SER  1LPO 236
SEQRES  29    549  LEU ASN VAL THR THR ASP ALA GLN ALA ARG GLU TYR PHE  1LPO 237
SEQRES  30    549  LYS GLN SER PHE VAL HIS ALA SER ASP ALA GLU ILE ASP  1LPO 238
SEQRES  31    549  THR LEU MET THR ALA TYR PRO GLY ASP ILE THR GLN GLY  1LPO 239
SEQRES  32    549  SER PRO PHE ASP THR GLY ILE LEU ASN ALA LEU THR PRO  1LPO 240
SEQRES  33    549  GLN PHE LYS ARG ILE SER ALA VAL LEU GLY ASP LEU GLY  1LPO 241
SEQRES  34    549  PHE THR LEU ALA ARG ARG TYR PHE LEU ASN HIS TYR THR  1LPO 242
SEQRES  35    549  GLY GLY THR LYS TYR SER PHE LEU SER LYS GLN LEU SER  1LPO 243
SEQRES  36    549  GLY LEU PRO VAL LEU GLY THR PHE HIS SER ASN ASP ILE  1LPO 244
SEQRES  37    549  VAL PHE GLN ASP TYR LEU LEU GLY SER GLY SER LEU ILE  1LPO 245
SEQRES  38    549  TYR ASN ASN ALA PHE ILE ALA PHE ALA THR ASP LEU ASP  1LPO 246
SEQRES  39    549  PRO ASN THR ALA GLY LEU LEU VAL LYS TRP PRO GLU TYR  1LPO 247
SEQRES  40    549  THR SER SER SER GLN SER GLY ASN ASN LEU MET MET ILE  1LPO 248
SEQRES  41    549  ASN ALA LEU GLY LEU TYR THR GLY LYS ASP ASN PHE ARG  1LPO 249
SEQRES  42    549  THR ALA GLY TYR ASP ALA LEU PHE SER ASN PRO PRO SER  1LPO 250
SEQRES  43    549  PHE PHE VAL                                          1LPO 251
FTNOTE   1                                                              1LPO 252
FTNOTE   1 CIS PROLINE - PRO     390                                    1LPO 253
HET    HDS    560      19     1-HEXADECANOSULFONIC ACID                 1LPO 254
HET    NAG    991      14     N-ACETYL-D-GLUCOSAMINE                    1LPO 255
HET    NAG    992      14     N-ACETYL-D-GLUCOSAMINE                    1LPO 256
HET    NAG    994      14     N-ACETYL-D-GLUCOSAMINE                    1LPO 257
HET     CA    589       1     CALCIUM ION                               1LPO 258
HET     CA    590       1     CALCIUM ION                               1LPO 259
FORMUL   2  HDS    C16 H34 O3 S1                                        1LPO 260
FORMUL   3  NAG    3(C8 H15 N1 O6)                                      1LPO 261
FORMUL   4   CA    2(CA1 2+)                                            1LPO 262
FORMUL   5  HOH   *179(H2 O1)                                           1LPO 263
HELIX    1   1 GLY     34  LEU     36  5                                1LPO 264
HELIX    2   2 LEU     73  MET     82  1                                1LPO 265
HELIX    3   3 LYS     85  VAL     90  1                                1LPO 266
HELIX    4   4 ALA    136  ALA    144  1                                1LPO 267
HELIX    5   5 SER    159  PHE    163  1                                1LPO 268
HELIX    6   6 ASP    167  GLU    172  1                                1LPO 269
HELIX    7   7 ALA    177  PHE    196  1                                1LPO 270
HELIX    8   8 SER    209  GLY    224  5                                1LPO 271
HELIX    9   9 ILE    253  ALA    266  1                                1LPO 272
HELIX   10  10 LYS    274  GLY    280  1                                1LPO 273
HELIX   11  11 SER    283  ASN    292  1                                1LPO 274
HELIX   12  12 MET    319  ARG    324  1                                1LPO 275
HELIX   13  13 THR    343  SER    349  1                                1LPO 276
HELIX   14  14 ASP    355  SER    365  1                                1LPO 277
HELIX   15  15 ASP    371  ALA    380  1                                1LPO 278
HELIX   16  16 ILE    385  GLN    387  5                                1LPO 279
HELIX   17  17 PHE    403  GLY    414  1                                1LPO 280
HELIX   18  18 THR    416  HIS    425  1                                1LPO 281
HELIX   19  19 ASN    451  ASP    457  1                                1LPO 282
HELIX   20  20 SER    462  TYR    467  5                                1LPO 283
HELIX   21  21 ASN    469  ASP    477  1                                1LPO 284
HELIX   22  22 PRO    480  ALA    483  5                                1LPO 285
HELIX   23  23 THR    519  PHE    526  1                                1LPO 286
HELIX   24  24 PRO    529  PHE    532  5                                1LPO 287
SHEET    1   A 2 THR     3  THR     5  0                                1LPO 288
SHEET    2   A 2 THR    11  THR    13 -1  N  ILE    12   O  ALA     4   1LPO 289
SHEET    1   B10 GLU    21  PHE    23  0                                1LPO 290
SHEET    2   B10 ILE   100  ARG   104 -1  N  ARG   104   O  GLU    21   1LPO 291
SHEET    3   B10 ILE   149  VAL   154 -1  N  SER   153   O  ASN   101   1LPO 292
SHEET    4   B10 PRO   115  ILE   120  1  N  PRO   115   O  ILE   150   1LPO 293
SHEET    5   B10 VAL   203  GLU   208  1  N  THR   204   O  VAL   116   1LPO 294
SHEET    6   B10 ALA   236  GLN   240  1  N  ALA   236   O  ILE   205   1LPO 295
SHEET    7   B10 PRO   332  GLN   338  1  N  PRO   332   O  GLY   237   1LPO 296
SHEET    8   B10 LYS   431  SER   436  1  N  TYR   432   O  VAL   333   1LPO 297
SHEET    9   B10 LEU   502  ILE   505  1  N  MET   503   O  SER   433   1LPO 298
SHEET   10   B10 LEU   510  GLY   513 -1  N  GLY   513   O  LEU   502   1LPO 299
SSBOND   1 CYS     60    CYS     97                                     1LPO 300
SSBOND   2 CYS    268    CYS    277                                     1LPO 301
CRYST1   65.000   97.600  176.300  90.00  90.00  90.00 C 2 2 21      8  1LPO 302
ORIGX1      1.000000  0.000000  0.000000        0.00000                 1LPO 303
ORIGX2      0.000000  1.000000  0.000000        0.00000                 1LPO 304
ORIGX3      0.000000  0.000000  1.000000        0.00000                 1LPO 305
SCALE1      0.015385  0.000000  0.000000        0.00000                 1LPO 306
SCALE2      0.000000  0.010246  0.000000        0.00000                 1LPO 307
SCALE3      0.000000  0.000000  0.005672        0.00000                 1LPO 308