Header list of 2bcb.pdb file
Complete list - r 9 2 Bytes
HEADER CALCIUM-BINDING PROTEIN 18-AUG-93 2BCB
TITLE HIGH-RESOLUTION SOLUTION STRUCTURE OF CALCIUM-LOADED CALBINDIN D9K
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CALBINDIN D9K;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS;
SOURCE 3 ORGANISM_COMMON: CATTLE;
SOURCE 4 ORGANISM_TAXID: 9913
KEYWDS CALCIUM-BINDING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 32
AUTHOR J.KORDEL,N.J.SKELTON,M.AKKE,W.J.CHAZIN
REVDAT 5 09-MAR-22 2BCB 1 REMARK SEQADV
REVDAT 4 24-FEB-09 2BCB 1 VERSN
REVDAT 3 01-APR-03 2BCB 1 JRNL
REVDAT 2 20-JUL-95 2BCB 3 ATOM
REVDAT 1 31-OCT-93 2BCB 0
JRNL AUTH J.KORDEL,N.J.SKELTON,M.AKKE,W.J.CHAZIN
JRNL TITL HIGH-RESOLUTION STRUCTURE OF CALCIUM-LOADED CALBINDIN D9K.
JRNL REF J.MOL.BIOL. V. 231 711 1993
JRNL REFN ISSN 0022-2836
JRNL PMID 8515447
JRNL DOI 10.1006/JMBI.1993.1322
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH J.KORDEL,S.FORSEN,T.DRAKENBERG,W.J.CHAZIN
REMARK 1 TITL THE RATE AND STRUCTURAL CONSEQUENCES OF PROLINE CIS-TRANS
REMARK 1 TITL 2 ISOMERIZATION IN CALBINDIN D9K: NMR STUDIES OF THE MINOR
REMARK 1 TITL 3 (CIS-PRO43) ISOFORM AND THE PRO43GLY MUTANT
REMARK 1 REF BIOCHEMISTRY V. 29 4400 1990
REMARK 1 REFN ISSN 0006-2960
REMARK 1 REFERENCE 2
REMARK 1 AUTH J.KORDEL,S.FORSEN,W.J.CHAZIN
REMARK 1 TITL 1H NMR SEQUENTIAL RESONANCE ASSIGNMENTS, SECONDARY
REMARK 1 TITL 2 STRUCTURE, AND GLOBAL FOLD IN SOLUTION OF THE MAJOR
REMARK 1 TITL 3 (TRANS-PRO43) FORM OF BOVINE CALBINDIN D9K
REMARK 1 REF BIOCHEMISTRY V. 28 7065 1989
REMARK 1 REFN ISSN 0006-2960
REMARK 1 REFERENCE 3
REMARK 1 AUTH D.M.E.SZEBENYI,K.MOFFAT
REMARK 1 TITL THE REFINED STRUCTURE OF VITAMIN D-DEPENDENT CALCIUM-BINDING
REMARK 1 TITL 2 PROTEIN FROM BOVINE INTESTINE. MOLECULAR DETAILS, ION
REMARK 1 TITL 3 BINDING, AND IMPLICATIONS FOR THE STRUCTURE OF OTHER
REMARK 1 TITL 4 CALCIUM-BINDING PROTEINS
REMARK 1 REF J.BIOL.CHEM. V. 261 8761 1986
REMARK 1 REFN ISSN 0021-9258
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DISGEO, AMBER
REMARK 3 AUTHORS : HAVEL,WUTHRICH (DISGEO),
REMARK 3 PEARLMAN,CASE,CALDWELL,SIEBEL,SINGH,WEINER,KOLLMAN
REMARK 3 (AMBER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2BCB COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000177820.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 32
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 1 LEU A 31 CB - CG - CD1 ANGL. DEV. = 10.2 DEGREES
REMARK 500 16 PHE A 63 CB - CG - CD2 ANGL. DEV. = -5.1 DEGREES
REMARK 500 32 LEU A 40 CB - CG - CD1 ANGL. DEV. = 11.7 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 ASP A 19 135.93 70.25
REMARK 500 1 PRO A 20 -9.79 -53.55
REMARK 500 1 ASN A 56 65.37 -165.60
REMARK 500 2 GLU A 60 -161.34 -128.57
REMARK 500 2 GLU A 64 -71.47 -45.09
REMARK 500 2 SER A 74 44.55 -103.91
REMARK 500 3 SER A 2 -179.91 110.77
REMARK 500 3 ASP A 19 108.04 75.98
REMARK 500 3 LYS A 41 -46.99 49.48
REMARK 500 3 SER A 44 -154.65 172.55
REMARK 500 3 SER A 74 30.33 -99.47
REMARK 500 4 SER A 2 -157.70 73.63
REMARK 500 4 LYS A 16 -72.53 -79.02
REMARK 500 4 SER A 44 -158.35 64.10
REMARK 500 4 ASN A 56 53.24 -156.74
REMARK 500 5 PHE A 36 72.85 -158.01
REMARK 500 5 SER A 44 68.25 -63.59
REMARK 500 5 ASP A 58 -28.44 -145.24
REMARK 500 6 LYS A 16 -75.53 -75.33
REMARK 500 6 PHE A 36 77.98 -156.18
REMARK 500 6 PRO A 37 -9.07 -58.89
REMARK 500 7 ASP A 19 129.90 75.25
REMARK 500 7 PHE A 36 77.04 -152.37
REMARK 500 8 LYS A 41 64.51 -61.18
REMARK 500 8 SER A 44 -89.69 -155.50
REMARK 500 8 SER A 74 36.85 -99.29
REMARK 500 9 LYS A 16 -74.65 -76.75
REMARK 500 9 GLU A 60 -161.85 -128.48
REMARK 500 10 PHE A 36 77.33 -151.76
REMARK 500 10 SER A 44 -68.23 62.65
REMARK 500 10 ASN A 56 62.50 -162.93
REMARK 500 11 SER A 2 169.98 127.47
REMARK 500 11 ASP A 19 137.31 73.08
REMARK 500 11 PRO A 20 -17.89 -49.79
REMARK 500 11 PHE A 36 73.87 -154.72
REMARK 500 12 ASP A 19 95.70 72.08
REMARK 500 12 SER A 44 -60.14 76.31
REMARK 500 12 LYS A 55 -39.33 -30.03
REMARK 500 13 GLU A 17 -57.94 -155.18
REMARK 500 13 ASP A 19 114.65 75.74
REMARK 500 13 LEU A 40 40.61 -74.57
REMARK 500 13 SER A 44 -153.13 54.68
REMARK 500 13 SER A 74 47.17 -84.24
REMARK 500 14 SER A 2 -162.38 78.85
REMARK 500 14 LEU A 40 30.33 -65.68
REMARK 500 14 ASN A 56 60.76 -156.55
REMARK 500 14 SER A 74 34.47 -98.95
REMARK 500 15 SER A 2 -167.52 99.21
REMARK 500 15 GLU A 17 -54.50 -141.73
REMARK 500 15 PRO A 20 -14.14 -49.45
REMARK 500
REMARK 500 THIS ENTRY HAS 106 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 1 PHE A 10 0.17 SIDE CHAIN
REMARK 500 2 PHE A 10 0.19 SIDE CHAIN
REMARK 500 3 PHE A 10 0.19 SIDE CHAIN
REMARK 500 4 PHE A 10 0.16 SIDE CHAIN
REMARK 500 5 PHE A 10 0.19 SIDE CHAIN
REMARK 500 5 PHE A 36 0.10 SIDE CHAIN
REMARK 500 6 PHE A 10 0.19 SIDE CHAIN
REMARK 500 7 PHE A 10 0.17 SIDE CHAIN
REMARK 500 8 PHE A 10 0.19 SIDE CHAIN
REMARK 500 9 PHE A 10 0.18 SIDE CHAIN
REMARK 500 10 PHE A 10 0.17 SIDE CHAIN
REMARK 500 11 PHE A 10 0.16 SIDE CHAIN
REMARK 500 11 TYR A 13 0.09 SIDE CHAIN
REMARK 500 12 PHE A 10 0.19 SIDE CHAIN
REMARK 500 13 PHE A 10 0.19 SIDE CHAIN
REMARK 500 14 PHE A 10 0.18 SIDE CHAIN
REMARK 500 15 PHE A 10 0.18 SIDE CHAIN
REMARK 500 16 PHE A 10 0.19 SIDE CHAIN
REMARK 500 16 PHE A 63 0.09 SIDE CHAIN
REMARK 500 17 PHE A 10 0.17 SIDE CHAIN
REMARK 500 17 TYR A 13 0.07 SIDE CHAIN
REMARK 500 17 PHE A 50 0.09 SIDE CHAIN
REMARK 500 18 PHE A 10 0.17 SIDE CHAIN
REMARK 500 19 PHE A 10 0.17 SIDE CHAIN
REMARK 500 19 TYR A 13 0.12 SIDE CHAIN
REMARK 500 20 PHE A 10 0.16 SIDE CHAIN
REMARK 500 21 PHE A 10 0.18 SIDE CHAIN
REMARK 500 21 PHE A 36 0.14 SIDE CHAIN
REMARK 500 22 PHE A 10 0.17 SIDE CHAIN
REMARK 500 22 TYR A 13 0.07 SIDE CHAIN
REMARK 500 22 PHE A 50 0.08 SIDE CHAIN
REMARK 500 23 PHE A 10 0.17 SIDE CHAIN
REMARK 500 24 PHE A 10 0.17 SIDE CHAIN
REMARK 500 25 PHE A 10 0.18 SIDE CHAIN
REMARK 500 26 PHE A 10 0.18 SIDE CHAIN
REMARK 500 26 TYR A 13 0.13 SIDE CHAIN
REMARK 500 26 PHE A 36 0.13 SIDE CHAIN
REMARK 500 27 PHE A 10 0.18 SIDE CHAIN
REMARK 500 27 TYR A 13 0.09 SIDE CHAIN
REMARK 500 28 PHE A 10 0.18 SIDE CHAIN
REMARK 500 29 PHE A 10 0.18 SIDE CHAIN
REMARK 500 30 PHE A 10 0.18 SIDE CHAIN
REMARK 500 30 TYR A 13 0.07 SIDE CHAIN
REMARK 500 31 PHE A 10 0.17 SIDE CHAIN
REMARK 500 32 PHE A 10 0.19 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 2BCA RELATED DB: PDB
DBREF 2BCB A 1 75 UNP P02633 S100G_BOVIN 4 78
SEQADV 2BCB GLY A 43 UNP P02633 PRO 46 CONFLICT
SEQRES 1 A 75 LYS SER PRO GLU GLU LEU LYS GLY ILE PHE GLU LYS TYR
SEQRES 2 A 75 ALA ALA LYS GLU GLY ASP PRO ASN GLN LEU SER LYS GLU
SEQRES 3 A 75 GLU LEU LYS LEU LEU LEU GLN THR GLU PHE PRO SER LEU
SEQRES 4 A 75 LEU LYS GLY GLY SER THR LEU ASP GLU LEU PHE GLU GLU
SEQRES 5 A 75 LEU ASP LYS ASN GLY ASP GLY GLU VAL SER PHE GLU GLU
SEQRES 6 A 75 PHE GLN VAL LEU VAL LYS LYS ILE SER GLN
HELIX 1 1 SER A 2 ALA A 15 1 14
HELIX 2 2 LYS A 25 PHE A 36 1 12
HELIX 3 3 THR A 45 ASP A 54 1 10
HELIX 4 4 PHE A 63 ILE A 73 1 11
SHEET 1 A 2 GLN A 22 SER A 24 0
SHEET 2 A 2 GLU A 60 SER A 62 -1 N VAL A 61 O LEU A 23
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
Complete list - r 9 2 Bytes