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📄 1cs4.ent

📁 emboss的linux版本的源代码
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HEADER    LYASE/LYASE/SIGNALING PROTEIN           16-AUG-99   1CS4              TITLE     COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN           TITLE    2 ADENYLYL CYCLASE: COMPLEX WITH 2'-DEOXY-ADENOSINE 3'-                TITLE    3 MONOPHOSPHATE, PYROPHOSPHATE AND MG                                  COMPND    MOL_ID: 1;                                                            COMPND   2 MOLECULE: TYPE V ADENYLATE CYCLASE;                                  COMPND   3 CHAIN: A;                                                            COMPND   4 FRAGMENT: C1A DOMAIN;                                                COMPND   5 SYNONYM: ATP PYROPHOSPHATE-LYASE;                                    COMPND   6 EC: 4.6.1.1;                                                         COMPND   7 ENGINEERED: YES;                                                     COMPND   8 MUTATION: YES;                                                       COMPND   9 MOL_ID: 2;                                                           COMPND  10 MOLECULE: TYPE II ADENYLATE CYCLASE;                                 COMPND  11 CHAIN: B;                                                            COMPND  12 FRAGMENT: C2A DOMAIN;                                                COMPND  13 SYNONYM: ATP PYROPHOSPHATE-LYASE, ADENYLYL CYCLASE;                  COMPND  14 EC: 4.6.1.1;                                                         COMPND  15 ENGINEERED: YES;                                                     COMPND  16 MOL_ID: 3;                                                           COMPND  17 MOLECULE: GUANINE NUCLEOTIDE-BINDING PROTEIN G(S);                   COMPND  18 CHAIN: C;                                                            COMPND  19 FRAGMENT: GS(ALPHA);                                                 COMPND  20 SYNONYM: ADENYLATE CYCLASE-STIMULATING G ALPHA PROTEIN;              COMPND  21 ENGINEERED: YES;                                                     COMPND  22 MUTATION: YES                                                        SOURCE    MOL_ID: 1;                                                            SOURCE   2 ORGANISM_SCIENTIFIC: CANIS FAMILIARIS;                               SOURCE   3 ORGANISM_COMMON: DOG;                                                SOURCE   4 ORGAN: HEART;                                                        SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PQE60-H6-VC1(580);                        SOURCE   9 MOL_ID: 2;                                                           SOURCE  10 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              SOURCE  11 ORGANISM_COMMON: RAT;                                                SOURCE  12 ORGAN: BRAIN;                                                        SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 SOURCE  14 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  SOURCE  15 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              SOURCE  16 EXPRESSION_SYSTEM_PLASMID: PQE60-ARGC-IIC2;                          SOURCE  17 MOL_ID: 3;                                                           SOURCE  18 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     SOURCE  19 ORGANISM_COMMON: BOVINE;                                             SOURCE  20 ORGAN: NOSTRIL;                                                      SOURCE  21 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 SOURCE  22 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  SOURCE  23 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              SOURCE  24 EXPRESSION_SYSTEM_PLASMID: PQE60-GSALPHA-H                           KEYWDS    COMPLEX (LYASE/HYDROLASE), HYDROLASE, SIGNAL TRANSDUCING              KEYWDS   2 PROTEIN, CYCLASE, EFFECTOR ENZYME, LYASE/HYDROLASE COMPLEX           EXPDTA    X-RAY DIFFRACTION                                                     AUTHOR    J.J.G.TESMER,C.A.DESSAUER,R.K.SUNAHARA,R.A.JOHNSON,                   AUTHOR   2 A.G.GILMAN,S.R.SPRANG                                                REVDAT   2   21-MAR-01 1CS4    3       HETATM REMARK                            REVDAT   1   10-JAN-01 1CS4    0                                                JRNL        AUTH   J.J.G.TESMER,C.A.DESSAUER,R.K.SUNAHARA,L.D.MURRAY,           JRNL        AUTH 2 R.A.JOHNSON,A.G.GILMAN,S.R.SPRANG                            JRNL        TITL   MOLECULAR BASIS FOR P-SITE INHIBITION OF ADENYLYL            JRNL        TITL 2 CYCLASE                                                      JRNL        REF    BIOCHEMISTRY                  V.  39 14464 2000              JRNL        REFN   ASTM BICHAW  US ISSN 0006-2960                               REMARK   1                                                                      REMARK   1 REFERENCE 1                                                          REMARK   1  AUTH   J.J.G.TESMER,R.K.SUNAHARA,A.G.GILMAN,S.R.SPRANG              REMARK   1  TITL   CRYSTAL STRUCTURE OF THE CATALYTIC DOMAINS OF                REMARK   1  TITL 2 ADENYLYL CYCLASE IN A COMPLEX WITH                           REMARK   1  TITL 3 GS(ALPHA)-GTP(GAMMA)S                                        REMARK   1  REF    SCIENCE                       V. 278  1907 1997              REMARK   1  REFN   ASTM SCIEAS  US ISSN 0036-8075                               REMARK   2                                                                      REMARK   2 RESOLUTION. 2.50 ANGSTROMS.                                          REMARK   3                                                                      REMARK   3 REFINEMENT.                                                          REMARK   3   PROGRAM     : CNS                                                  REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-              REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,             REMARK   3               : READ,RICE,SIMONSON,WARREN                            REMARK   3                                                                      REMARK   3  REFINEMENT TARGET : CNS                                             REMARK   3                                                                      REMARK   3  DATA USED IN REFINEMENT.                                            REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50                           REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 15.00                          REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           REMARK   3   OUTLIER CUTOFF HIGH (RMS(ABS(F))) : NULL                           REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 90.1                           REMARK   3   NUMBER OF REFLECTIONS             : 36050                          REMARK   3                                                                      REMARK   3                                                                      REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          REMARK   3   R VALUE            (WORKING SET) : 0.216                           REMARK   3   FREE R VALUE                     : 0.264                           REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.000                          REMARK   3   FREE R VALUE TEST SET COUNT      : 3639                            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            : 5647                                    REMARK   3   NUCLEIC ACID ATOMS       : 0                                       REMARK   3   HETEROGEN ATOMS          : 119                                     REMARK   3   SOLVENT ATOMS            : 77                                      REMARK   3                                                                      REMARK   3  B VALUES.                                                           REMARK   3   FROM WILSON PLOT           (A**2) : 53.60                          REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       REMARK   3    B11 (A**2) : -12.73000                                            REMARK   3    B22 (A**2) : -23.79000                                            REMARK   3    B33 (A**2) : 36.52000                                             REMARK   3    B12 (A**2) : 0.00000                                              REMARK   3    B13 (A**2) : 0.00000                                              REMARK   3    B23 (A**2) : 0.00000                                              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) : 0.007                           REMARK   3   BOND ANGLES            (DEGREES) : 1.22                            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                                                                      REMARK   3  BULK SOLVENT MODELING.                                              REMARK   3   METHOD USED : NULL                                                 REMARK   3   KSOL        : NULL                                                 REMARK   3   BSOL        : 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                 

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