Header list of 1pao.pdb file
Complete list - 29 20 Bytes
HEADER FIMBRIAL PROTEIN 05-OCT-95 1PAO
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: PAO 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: O
KEYWDS FIMBRIAL PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 33
AUTHOR A.P.CAMPBELL,C.MCINNES,R.S.HODGES,B.D.SYKES
REVDAT 3 29-NOV-17 1PAO 1 REMARK HELIX
REVDAT 2 24-FEB-09 1PAO 1 VERSN
REVDAT 1 29-JAN-96 1PAO 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 1PAO 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_1000175571.
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 : 33
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: 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 CYS A 142 -76.08 -108.12
REMARK 500 2 CYS A 142 -70.72 -96.72
REMARK 500 3 CYS A 142 -74.89 -105.24
REMARK 500 5 ASP A 143 -71.11 -83.53
REMARK 500 6 CYS A 142 -78.16 -103.55
REMARK 500 8 LYS A 130 -84.38 -89.50
REMARK 500 8 SER A 131 78.54 -119.90
REMARK 500 8 CYS A 142 -77.42 -94.83
REMARK 500 8 ASP A 143 -60.08 -92.80
REMARK 500 9 CYS A 142 -84.47 -101.85
REMARK 500 10 CYS A 142 -66.91 -94.79
REMARK 500 11 CYS A 142 -74.65 -108.37
REMARK 500 12 CYS A 142 -62.38 -99.44
REMARK 500 13 CYS A 142 -74.05 -106.29
REMARK 500 14 CYS A 142 -96.90 -116.79
REMARK 500 15 CYS A 142 -75.67 -109.87
REMARK 500 16 LYS A 130 -87.09 -110.36
REMARK 500 16 PRO A 139 2.01 -65.35
REMARK 500 16 CYS A 142 -69.84 -93.68
REMARK 500 17 CYS A 142 -86.99 -111.17
REMARK 500 18 CYS A 142 -69.36 -100.99
REMARK 500 19 CYS A 142 -87.93 -110.85
REMARK 500 20 CYS A 142 -72.33 -82.71
REMARK 500 21 CYS A 142 -108.36 -119.24
REMARK 500 22 CYS A 142 -70.22 -99.79
REMARK 500 23 CYS A 142 -98.71 -110.24
REMARK 500 24 CYS A 142 -96.40 -125.32
REMARK 500 25 CYS A 142 -89.31 -102.33
REMARK 500 26 LYS A 130 -89.24 -110.91
REMARK 500 26 CYS A 142 -71.36 -123.67
REMARK 500 27 CYS A 142 -69.96 -96.32
REMARK 500 28 PRO A 139 6.59 -62.98
REMARK 500 28 CYS A 142 -80.55 -105.57
REMARK 500 29 CYS A 142 -73.17 -91.98
REMARK 500 31 CYS A 142 -96.32 -118.52
REMARK 500 32 CYS A 142 -62.49 -101.19
REMARK 500 33 CYS A 142 -66.88 -96.85
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1PAN RELATED DB: PDB
DBREF 1PAO A 128 144 UNP P04739 FMPO_PSEAE 133 149
SEQRES 1 A 18 ACE ALA CYS LYS SER THR GLN ASP PRO MET PHE THR PRO
SEQRES 2 A 18 LYS GLY CYS ASP ASN
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 ALA 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
MODEL 1
Complete list - 29 20 Bytes