Header list of 1kb7.pdb file
Complete list - 29 201 Bytes
HEADER FIMBRIAL PROTEIN 05-OCT-95 1KB7
TITLE A COMPARISON OF NMR SOLUTION STRUCTURES OF THE RECEPTOR BINDING
TITLE 2 DOMAINS OF PSEUDOMONAS AERUGINOSA PILI STRAINS PAO, KB7, AND PAK:
TITLE 3 IMPLICATIONS FOR RECEPTOR BINDING AND SYNTHETIC VACCINE DESIGN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: KB7 PILIN, TRANS;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: FIMBRIAL PROTEIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA;
SOURCE 3 ORGANISM_TAXID: 287;
SOURCE 4 STRAIN: KB7
KEYWDS FIMBRIAL PROTEIN
EXPDTA SOLUTION NMR
AUTHOR A.P.CAMPBELL,C.MCINNES,R.S.HODGES,B.D.SYKES
REVDAT 3 29-NOV-17 1KB7 1 REMARK HELIX
REVDAT 2 24-FEB-09 1KB7 1 VERSN
REVDAT 1 29-JAN-96 1KB7 0
JRNL AUTH A.P.CAMPBELL,C.MCINNES,R.S.HODGES,B.D.SYKES
JRNL TITL COMPARISON OF NMR SOLUTION STRUCTURES OF THE RECEPTOR
JRNL TITL 2 BINDING DOMAINS OF PSEUDOMONAS AERUGINOSA PILI STRAINS PAO,
JRNL TITL 3 KB7, AND PAK: IMPLICATIONS FOR RECEPTOR BINDING AND
JRNL TITL 4 SYNTHETIC VACCINE DESIGN.
JRNL REF BIOCHEMISTRY V. 34 16255 1995
JRNL REFN ISSN 0006-2960
JRNL PMID 8845350
JRNL DOI 10.1021/BI00050A005
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH C.MCINNES,C.M.KAY,R.S.HODGES,B.D.SYKES
REMARK 1 TITL CONFORMATIONAL DIFFERENCES BETWEEN CIS AND TRANS PROLINE
REMARK 1 TITL 2 ISOMERS OF A PEPTIDE ANTIGEN REPRESENTING THE RECEPTOR
REMARK 1 TITL 3 BINDING DOMAIN OF PSEUDOMONAS AERUGINOSA AS STUDIED BY 1H
REMARK 1 TITL 4 NMR
REMARK 1 REF BIOPOLYMERS V. 34 1221 1994
REMARK 1 REFN ISSN 0006-3525
REMARK 1 REFERENCE 2
REMARK 1 AUTH C.MCINNES,F.D.SOENNICHSEN,C.M.KAY,R.S.HODGES,B.D.SYKES
REMARK 1 TITL NMR SOLUTION STRUCTURE AND FLEXIBILITY OF A PEPTIDE ANTIGEN
REMARK 1 TITL 2 REPRESENTING THE RECEPTOR BINDING DOMAIN OF PSEUDOMONAS
REMARK 1 TITL 3 AERUGINOSA
REMARK 1 REF BIOCHEMISTRY V. 32 13432 1993
REMARK 1 REFN ISSN 0006-2960
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PEPFLEX II
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1KB7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000174397.
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 : 1
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 ASP A 144 C ASP A 144 OXT 0.143
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 ASP A 134 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES
REMARK 500 ARG A 138 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 ASP A 144 CB - CG - OD2 ANGL. DEV. = -6.0 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 THR A 131 -67.97 -135.53
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1KB8 RELATED DB: PDB
DBREF 1KB7 A 128 144 UNP Q53391 FMK7_PSEAE 7 23
SEQRES 1 A 18 ACE SER CYS ALA THR THR VAL ASP ALA LYS PHE ARG PRO
SEQRES 2 A 18 ASN GLY CYS THR ASP
HET ACE A 127 6
HETNAM ACE ACETYL GROUP
FORMUL 1 ACE C2 H4 O
SSBOND 1 CYS A 129 CYS A 142 1555 1555 2.00
LINK C ACE A 127 N SER A 128 1555 1555 1.34
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
Complete list - 29 201 Bytes