IUBio

computer models of troponin C and Calmodulin

Gerard Kleijwegt gerard at rigel.bmc.uu.se
Thu Sep 2 10:37:03 EST 1993


In article <jel.3.0 at as.tsa.brown.edu>, jel at as.tsa.brown.edu (Joe Lucas) writes:
|> Does anyone know of any computer models of these proteins, and if so could 
|> you site some sources?
|> 		-Joe

Calmodulin in the FULL PDB release:

... FILE 1trc.pdb ... ID 1trc ...
HEADER    CALCIUM BINDING PROTEIN                 18-JAN-90   1TRC
REVDAT   1   15-OCT-91 1TRC    0
COMPND    CALMODULIN (/TR=2=C$ FRAGMENT COMPRISING RESIDUES 78 - 148
COMPND   2 OF THE INTACT MOLECULE)
SOURCE    BULL (BOS $TAURUS) TESTES
AUTHOR    L.SJOLIN,L.A.SVENSSON,E.PRINCE,S.SUNDELL
JRNL        AUTH   L.SJOLIN,L.A.SVENSSON,E.PRINCE,S.SUNDELL
JRNL        TITL   PHASE IMPROVEMENT IN THE STRUCTURE INTERPRETATION
JRNL        TITL 2 OF FRAGMENT /TR=2=C$ FORM BULL TESTIS CALMODULIN
JRNL        TITL 3 USING COMBINED ENTROPY MAXIMIZATION AND SOLVENT
JRNL        TITL 4 FLATTENING
JRNL        REF    ACTA CRYSTALLOGR.,SECT.B      V.  46   209 1990
JRNL        REFN   ASTM ASBSDK  DK ISSN 0108-7681                  622

... FILE 2cln.pdb ... ID 2cln ...
HEADER    CALCIUM BINDING PROTEIN                 03-FEB-88   2CLN      2CLN   3
REVDAT   1   16-JUL-88 2CLN    0                                        2CLN   8
COMPND    N==Z115== TRIMETHYLCALMODULIN COMPLEX WITH TRIFLUOPERAZINE    2CLN   4
COMPND   2 (MODEL)                                                      2CLN   5
SOURCE    BOVINE (BOS $TAURUS) BRAIN                                    2CLN   6
AUTHOR    N.C.J.STRYNADKA,M.N.G.JAMES                                   2CLN   7
JRNL        AUTH   N.C.J.STRYNADKA,M.N.G.JAMES                          2CLN   9
JRNL        TITL   TWO TRIFLUOPERAZINE-*BINDING SITES ON CALMODULIN     2CLN  10
JRNL        TITL 2 PREDICTED FROM COMPARATIVE MOLECULAR MODELLING       2CLN  11
JRNL        TITL 3 WITH TROPONIN-*C                                     2CLN  12
JRNL        REF    PROTEINS.STRUCT.,FUNCT.,      V.   3     1 1988      2CLN  13
JRNL        REF  2 GENET.                                               2CLN  14
JRNL        REFN   ASTM PSFGEY  US ISSN 0887-3585                  867  2CLN  15

... FILE 3cln.pdb ... ID 3cln ...
HEADER    CALCIUM BINDING PROTEIN                 11-MAY-88   3CLN
REVDAT   2   09-JAN-89 3CLNA   1       JRNL
REVDAT   1   16-JUL-88 3CLN    0
COMPND    CALMODULIN
SOURCE    RAT (RATTUS $RATTUS) TESTIS
AUTHOR    Y.S.BABU,C.E.BUGG,W.J.COOK
REVDAT   2   09-JAN-89 3CLNA   1       JRNL
JRNL        AUTH   Y.S.BABU,C.E.BUGG,W.J.COOK
JRNL        TITL   STRUCTURE OF CALMODULIN REFINED AT 2.2 ANGSTROMS
JRNL        TITL 2 RESOLUTION
JRNL        REF    J.MOL.BIOL.                   V. 204   191 1988
JRNL        REFN   ASTM JMOBAK  UK ISSN 0022-2836                  070
REMARK   6 CORRECTION. UPDATE JRNL REFERENCE TO REFLECT PUBLICATION.

... FILE 4cln.pdb ... ID 4cln ...
HEADER    CALCIUM BINDING PROTEIN                 24-JUN-91   4CLN      4CLN   2
REVDAT   1   15-JUL-92 4CLN    0                                        4CLN   6
COMPND    CALMODULIN                                                    4CLN   3
SOURCE    (DROSOPHILA $MELANOGASTER) EXPRESSED IN (ESCHERICHIA $COLI)   4CLN   4
AUTHOR    D.A.TAYLOR,J.S.SACK,J.F.MAUNE,K.BECKINGHAM,F.A.QUIOCHO        4CLN   5
JRNL        AUTH   D.A.TAYLOR,J.S.SACK,J.F.MAUNE,K.BECKINGHAM,          4CLN   7
JRNL        AUTH 2 F.A.QUIOCHO                                          4CLN   8
JRNL        TITL   STRUCTURE OF A RECOMBINANT CALMODULIN FROM           4CLN   9
JRNL        TITL 2 DROSOPHILA $MELANOGASTER REFINED AT 2.2-*ANGSTROMS   4CLN  10
JRNL        TITL 3 RESOLUTION                                           4CLN  11
JRNL        REF    J.BIOL.CHEM.                  V. 266 21375 1991      4CLN  12
JRNL        REFN   ASTM JBCHA3  US ISSN 0021-9258                  071  4CLN  13

Calmodulin in the PDB PRE-release:

... FILE 1cll.pdb ... ID 1cll ...
HEADER    PRELIMINARY                             29-SEP-92  P1CLL
COMPND    CALMODULIN  (VETEBRATE)
SOURCE    RECOMBINANT PROTEIN USING VETEBRATE SEQUENCE
AUTHOR    R.CHATTOPADHYAYA,F.A.QUIOCHO

... FILE 1clm.pdb ... ID 1clm ...
HEADER    PRELIMINARY                             23-JAN-93  P1CLM
COMPND    CALMODULIN FROM PARAMECIUM TETRAURELIA (WILD TYPE)
SOURCE    PARAMECIUM TETRAURELIA
AUTHOR    M.SUNDARALAINGAM

... FILE 2bbm.pdb ... ID 2bbm ...
HEADER    PRELIMINARY                             16-JUL-92  P2BBM
EXPDTA    NMR
COMPND    CALCIUM-BOUND CALMODULIN COMPLEX WITH CALMODULIN BINDING
COMPND   2 DOMAIN OF RABBIT SKELETAL MYOSIN LIGHT CHAIN KINASE
COMPND   3 (MINIMIZED AVERAGE STRUCTURE PLUS 21 MODELS)
SOURCE    (DROSOPHILA $MELANOGASTER) AND SYNTHETIC PEPTIDE
AUTHOR    G.M.CLORE,A.BAX,M.IKURA,A.M.GRONENBORN

Troponin in the FULL PDB release:

... FILE 1tnc.pdb ... ID 1tnc ...
HEADER    CONTRACTILE SYSTEM PROTEINS             15-JUL-80   1TNC      1TNC   3
REVDAT   2   30-SEP-83 1TNCA   1       REVDAT                           1TNCA  1
REVDAT   1   09-AUG-80 1TNC    0                                        1TNCA  2
REMARK   6 CORRECTION. INSERT REVDAT RECORDS. 30-SEP-83.                1TNCA  4
COMPND    TROPONIN - CALCIUM-BINDING COMPONENT                          1TNC   4
SOURCE    RABBIT (ORYCTOLAGUS CUNICULUS)                                1TNC   5
AUTHOR    R.H.KRETSINGER,C.D.BARRY                                      1TNC   6
JRNL        AUTH   R.H.KRETSINGER,C.D.BARRY                             1TNC   7
JRNL        TITL   THE PREDICTED STRUCTURE OF THE CALCIUM-BINDING       1TNC   8
JRNL        TITL 2 COMPONENT OF TROPONIN                                1TNC   9
JRNL        REF    BIOCHIM.BIOPHYS.ACTA          V. 405    40 1975      1TNC  10
JRNL        REFN   ASTM BBACAQ  NE ISSN 0006-3002                  113  1TNC  11

... FILE 4tnc.pdb ... ID 4tnc ...
HEADER    CONTRACTILE SYSTEM PROTEIN              28-SEP-87   4TNC
REVDAT   2   19-APR-89 4TNCA   1       JRNL
REVDAT   1   16-JUL-88 4TNC    0
COMPND    TROPONIN C
SOURCE    CHICKEN (GALLUS $GALLUS) SKELETAL MUSCLE
REMARK   2  COLLECTED AT THE CORNELL HIGH ENERGY SYNCHROTRON SOURCE.
AUTHOR    M.SUNDARALINGAM
REVDAT   2   19-APR-89 4TNCA   1       JRNL
JRNL        AUTH   K.A.SATYSHUR,S.T.RAO,D.PYZALSKA,W.DRENDEL,
JRNL        AUTH 2 M.GREASER,M.SUNDARALINGAM
JRNL        TITL   REFINED STRUCTURE OF CHICKEN SKELETAL MUSCLE
JRNL        TITL 2 TROPONIN C IN THE TWO-CALCIUM STATE AT 2-*ANGSTROMS
JRNL        TITL 3 RESOLUTION
JRNL        REF    J.BIOL.CHEM.                  V. 263  1628 1988
JRNL        REFN   ASTM JBCHA3  US ISSN 0021-9258                  071

... FILE 5tnc.pdb ... ID 5tnc ...
HEADER    CONTRACTILE SYSTEM PROTEINS             27-MAY-88   5TNC
REVDAT   2   09-JAN-89 5TNCA   1       JRNL   SEQRES
REVDAT   1   09-OCT-88 5TNC    0
COMPND    TROPONIN-*C
SOURCE    TURKEY (MELEAGRIS $GALLOPAVO) SKELETAL MUSCLE
AUTHOR    O.HERZBERG,M.N.G.JAMES
REVDAT   2   09-JAN-89 5TNCA   1       JRNL   SEQRES
JRNL        AUTH   O.HERZBERG,M.N.G.JAMES
JRNL        TITL   REFINED CRYSTAL STRUCTURE OF TROPONIN C FROM TURKEY
JRNL        TITL 2 SKELETAL MUSCLE AT 2.0 ANGSTROMS RESOLUTION
JRNL        REF    J.MOL.BIOL.                   V. 203   761 1988
JRNL        REFN   ASTM JMOBAK  UK ISSN 0022-2836                  070

Troponin in the PDB PRE release:

... FILE 1cta.pdb ... ID 1cta ...
HEADER    PRELIMINARY                             12-NOV-92  P1CTA
EXPDTA    NMR
COMPND    CHICKEN SKELETAL TROPONIN C SITE III-SITEIII HOMODIMER
COMPND   2 SCIII HOMODIMER N-ACETYL-(A101,Y112)-TROPONINC(93-126)-
COMPND   3 AMIDE DIMER
SOURCE    SYNTHETIC PEPTIDE
AUTHOR    G.S.SHAW,B.D.SYKES

--Gerard

******************************************************************
             Gerard J. Kleywegt		     _____
Department of Molecular Biology		     |   |   / \
              Biomedical Centre		    / \ ---  | |
          University of Uppsala		    | | | |  | |
                        Uppsala		    | | | |  | |
                         SWEDEN		    | | \ /  ---
					    ---  |____|
  E-mail: gerard at xray.bmc.uu.se
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