Header list of 1cfg.pdb file
Complete list - 16 20 Bytes
HEADER COAGULATION FACTOR 10-NOV-94 1CFG
TITLE MEMBRANE-BINDING PEPTIDE FROM THE C2 DOMAIN OF FACTOR VIII FORMS AN
TITLE 2 AMPHIPATHIC STRUCTURE AS DETERMINED BY NMR SPECTROSCOPY
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: COAGULATION FACTOR VIII;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606
KEYWDS COAGULATION FACTOR
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR J.D.BALEJA,G.E.GILBERT
REVDAT 3 16-FEB-22 1CFG 1 REMARK
REVDAT 2 24-FEB-09 1CFG 1 VERSN
REVDAT 1 02-NOV-95 1CFG 0
JRNL AUTH G.E.GILBERT,J.D.BALEJA
JRNL TITL MEMBRANE-BINDING PEPTIDE FROM THE C2 DOMAIN OF FACTOR VIII
JRNL TITL 2 FORMS AN AMPHIPATHIC STRUCTURE AS DETERMINED BY NMR
JRNL TITL 3 SPECTROSCOPY.
JRNL REF BIOCHEMISTRY V. 34 3022 1995
JRNL REFN ISSN 0006-2960
JRNL PMID 7893714
JRNL DOI 10.1021/BI00009A033
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NULL
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1CFG 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_1000172292.
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 : 20
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: COVALENT BOND LENGTHS
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
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 RES CSSEQI ATM2 DEVIATION
REMARK 500 1 TRP A 11 CB TRP A 11 CG 0.116
REMARK 500 1 GLU A 20 CD GLU A 20 OE2 0.122
REMARK 500 2 TRP A 11 CB TRP A 11 CG 0.120
REMARK 500 2 GLU A 20 CD GLU A 20 OE2 0.123
REMARK 500 3 TRP A 11 CB TRP A 11 CG 0.115
REMARK 500 3 GLU A 20 CD GLU A 20 OE2 0.123
REMARK 500 4 TRP A 11 CB TRP A 11 CG 0.118
REMARK 500 4 GLU A 20 CD GLU A 20 OE2 0.122
REMARK 500 5 TRP A 11 CB TRP A 11 CG 0.118
REMARK 500 5 GLU A 20 CD GLU A 20 OE1 0.122
REMARK 500 6 TRP A 11 CB TRP A 11 CG 0.121
REMARK 500 6 GLU A 20 CD GLU A 20 OE2 0.122
REMARK 500 7 TRP A 11 CB TRP A 11 CG 0.124
REMARK 500 7 GLU A 20 CD GLU A 20 OE2 0.123
REMARK 500 8 TRP A 11 CB TRP A 11 CG 0.122
REMARK 500 8 GLU A 20 CD GLU A 20 OE1 0.122
REMARK 500 9 TRP A 11 CB TRP A 11 CG 0.119
REMARK 500 9 GLU A 20 CD GLU A 20 OE2 0.122
REMARK 500 10 TRP A 11 CB TRP A 11 CG 0.115
REMARK 500 10 GLU A 20 CD GLU A 20 OE1 0.123
REMARK 500 11 TRP A 11 CB TRP A 11 CG 0.115
REMARK 500 11 GLU A 20 CD GLU A 20 OE2 0.123
REMARK 500 12 TRP A 11 CB TRP A 11 CG 0.118
REMARK 500 12 GLU A 20 CD GLU A 20 OE1 0.122
REMARK 500 13 TRP A 11 CB TRP A 11 CG 0.122
REMARK 500 13 GLU A 20 CD GLU A 20 OE1 0.122
REMARK 500 14 TRP A 11 CB TRP A 11 CG 0.123
REMARK 500 14 GLU A 20 CD GLU A 20 OE2 0.123
REMARK 500 15 TRP A 11 CB TRP A 11 CG 0.117
REMARK 500 15 GLU A 20 CD GLU A 20 OE1 0.122
REMARK 500 16 TRP A 11 CB TRP A 11 CG 0.117
REMARK 500 16 GLU A 20 CD GLU A 20 OE2 0.122
REMARK 500 17 TRP A 11 CB TRP A 11 CG 0.117
REMARK 500 17 GLU A 20 CD GLU A 20 OE1 0.122
REMARK 500 18 TRP A 11 CB TRP A 11 CG 0.121
REMARK 500 18 GLU A 20 CD GLU A 20 OE1 0.123
REMARK 500 19 TRP A 11 CB TRP A 11 CG 0.124
REMARK 500 19 GLU A 20 CD GLU A 20 OE2 0.123
REMARK 500 20 TRP A 11 CB TRP A 11 CG 0.124
REMARK 500 20 GLU A 20 CD GLU A 20 OE1 0.122
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 ARG A 2 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 1 LEU A 4 CA - CB - CG ANGL. DEV. = 15.2 DEGREES
REMARK 500 1 ARG A 5 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 1 ILE A 6 N - CA - CB ANGL. DEV. = 16.5 DEGREES
REMARK 500 1 HIS A 7 C - N - CA ANGL. DEV. = 17.7 DEGREES
REMARK 500 1 HIS A 7 CB - CG - CD2 ANGL. DEV. = 10.9 DEGREES
REMARK 500 1 HIS A 7 CB - CG - ND1 ANGL. DEV. = -12.0 DEGREES
REMARK 500 1 TRP A 11 CA - CB - CG ANGL. DEV. = 26.9 DEGREES
REMARK 500 1 TRP A 11 CD1 - NE1 - CE2 ANGL. DEV. = -6.4 DEGREES
REMARK 500 1 HIS A 13 CB - CG - CD2 ANGL. DEV. = 11.0 DEGREES
REMARK 500 1 HIS A 13 CB - CG - ND1 ANGL. DEV. = -12.5 DEGREES
REMARK 500 1 ILE A 15 N - CA - CB ANGL. DEV. = 15.6 DEGREES
REMARK 500 1 LEU A 17 C - N - CA ANGL. DEV. = 15.1 DEGREES
REMARK 500 1 LEU A 17 CA - CB - CG ANGL. DEV. = 13.9 DEGREES
REMARK 500 1 ARG A 18 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 2 ARG A 2 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 2 ARG A 5 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 2 ILE A 6 C - N - CA ANGL. DEV. = 15.2 DEGREES
REMARK 500 2 ILE A 6 N - CA - CB ANGL. DEV. = 16.0 DEGREES
REMARK 500 2 HIS A 7 CB - CG - CD2 ANGL. DEV. = 10.9 DEGREES
REMARK 500 2 HIS A 7 CB - CG - ND1 ANGL. DEV. = -11.9 DEGREES
REMARK 500 2 PRO A 8 N - CD - CG ANGL. DEV. = 9.9 DEGREES
REMARK 500 2 TRP A 11 CA - CB - CG ANGL. DEV. = 28.2 DEGREES
REMARK 500 2 TRP A 11 CD1 - NE1 - CE2 ANGL. DEV. = -6.4 DEGREES
REMARK 500 2 HIS A 13 CB - CG - CD2 ANGL. DEV. = 10.7 DEGREES
REMARK 500 2 HIS A 13 CB - CG - ND1 ANGL. DEV. = -11.8 DEGREES
REMARK 500 2 ILE A 15 N - CA - CB ANGL. DEV. = 15.3 DEGREES
REMARK 500 2 LEU A 17 C - N - CA ANGL. DEV. = 15.1 DEGREES
REMARK 500 2 ARG A 18 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 3 ARG A 2 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 3 ARG A 5 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 3 ILE A 6 N - CA - CB ANGL. DEV. = 16.4 DEGREES
REMARK 500 3 HIS A 7 C - N - CA ANGL. DEV. = 16.3 DEGREES
REMARK 500 3 HIS A 7 CB - CG - CD2 ANGL. DEV. = 10.7 DEGREES
REMARK 500 3 HIS A 7 CB - CG - ND1 ANGL. DEV. = -11.6 DEGREES
REMARK 500 3 PRO A 8 N - CD - CG ANGL. DEV. = 9.8 DEGREES
REMARK 500 3 GLN A 9 C - N - CA ANGL. DEV. = 15.1 DEGREES
REMARK 500 3 TRP A 11 CA - CB - CG ANGL. DEV. = 28.1 DEGREES
REMARK 500 3 TRP A 11 CD1 - NE1 - CE2 ANGL. DEV. = -6.4 DEGREES
REMARK 500 3 HIS A 13 CB - CG - CD2 ANGL. DEV. = 11.0 DEGREES
REMARK 500 3 HIS A 13 CB - CG - ND1 ANGL. DEV. = -12.3 DEGREES
REMARK 500 3 ILE A 15 N - CA - CB ANGL. DEV. = 16.1 DEGREES
REMARK 500 3 LEU A 17 C - N - CA ANGL. DEV. = 15.9 DEGREES
REMARK 500 3 ARG A 18 C - N - CA ANGL. DEV. = 15.5 DEGREES
REMARK 500 3 ARG A 18 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 4 ARG A 2 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 4 ARG A 5 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 4 ILE A 6 N - CA - CB ANGL. DEV. = 16.8 DEGREES
REMARK 500 4 HIS A 7 C - N - CA ANGL. DEV. = 15.2 DEGREES
REMARK 500 4 HIS A 7 CB - CG - CD2 ANGL. DEV. = 10.2 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 294 ANGLE DEVIATIONS.
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 ARG A 2 3.82 -68.44
REMARK 500 1 TYR A 3 62.89 -104.24
REMARK 500 1 LEU A 4 -141.42 -53.14
REMARK 500 1 ARG A 5 -71.64 -61.75
REMARK 500 1 VAL A 21 -70.78 -116.23
REMARK 500 2 LEU A 4 -170.42 -65.57
REMARK 500 2 PRO A 8 -17.70 -49.05
REMARK 500 2 GLU A 20 33.60 -70.41
REMARK 500 2 VAL A 21 -70.91 -113.63
REMARK 500 3 LEU A 4 -157.75 -64.12
REMARK 500 3 HIS A 7 63.58 -117.97
REMARK 500 3 PRO A 8 -16.98 -48.04
REMARK 500 3 VAL A 21 -60.86 -126.77
REMARK 500 4 LEU A 4 -163.49 -54.17
REMARK 500 4 VAL A 21 63.52 -101.88
REMARK 500 5 LEU A 4 -173.31 -66.03
REMARK 500 5 HIS A 7 63.34 -103.79
REMARK 500 5 GLU A 20 25.94 -73.99
REMARK 500 6 LEU A 4 -146.19 -64.75
REMARK 500 6 ILE A 6 119.43 -160.82
REMARK 500 6 HIS A 7 60.68 -115.88
REMARK 500 7 ARG A 2 3.19 -69.30
REMARK 500 7 TYR A 3 53.73 -104.07
REMARK 500 7 LEU A 4 -168.97 -48.53
REMARK 500 7 ILE A 6 118.54 -166.19
REMARK 500 7 PRO A 8 -16.48 -42.98
REMARK 500 8 LEU A 4 -173.34 -52.68
REMARK 500 8 HIS A 7 64.07 -102.46
REMARK 500 8 GLU A 20 24.42 -75.78
REMARK 500 8 VAL A 21 89.32 -61.33
REMARK 500 9 LEU A 4 -145.61 -52.74
REMARK 500 9 HIS A 7 59.79 -104.79
REMARK 500 10 LEU A 4 -149.06 -55.37
REMARK 500 10 ARG A 5 -74.69 -53.90
REMARK 500 10 GLU A 20 21.25 -76.95
REMARK 500 11 LEU A 4 -138.94 -61.69
REMARK 500 11 PRO A 8 -18.57 -44.16
REMARK 500 11 GLN A 14 -16.29 -48.09
REMARK 500 11 GLU A 20 -85.21 -76.64
REMARK 500 11 VAL A 21 -80.59 -132.75
REMARK 500 12 TYR A 3 46.34 -103.25
REMARK 500 12 LEU A 4 -153.61 -50.56
REMARK 500 12 GLU A 20 26.08 -79.62
REMARK 500 13 LEU A 4 -179.61 -50.54
REMARK 500 13 PRO A 8 -19.82 -49.59
REMARK 500 13 GLU A 20 24.80 -68.96
REMARK 500 13 VAL A 21 -71.14 -64.06
REMARK 500 14 LEU A 4 -165.46 -53.86
REMARK 500 14 GLU A 20 4.09 -54.48
REMARK 500 15 LEU A 4 -172.52 -53.79
REMARK 500
REMARK 500 THIS ENTRY HAS 63 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS
REMARK 500
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH
REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED
REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.
REMARK 500 MODEL OMEGA
REMARK 500 ARG A 2 TYR A 3 18 -149.94
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1CFG A 1 22 UNP P00451 FA8_HUMAN 2322 2343
SEQRES 1 A 22 THR ARG TYR LEU ARG ILE HIS PRO GLN SER TRP VAL HIS
SEQRES 2 A 22 GLN ILE ALA LEU ARG MET GLU VAL LEU
HELIX 1 1 SER A 10 LEU A 17 1 8
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 - 16 20 Bytes