Header list of 1xs3.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-OCT-04 1XS3
TITLE SOLUTION STRUCTURE ANALYSIS OF THE XC975 PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN XC975;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN XANTHOMONAS
SOURCE 4 CAMPESTRIS PV. CAMPESTRIS17
KEYWDS BOLA-LIKE, STRUCTURAL GENOMICS, AN INTEGRATED STRUCTURAL AND
KEYWDS 2 FUNCTIONAL GENOMIC PROJECT, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.-H.CHIN,F.-Y.LIN,Y.-C.HU,K.-H.SZE,P.-C.LYU,S.-H.CHOU
REVDAT 3 02-MAR-22 1XS3 1 REMARK
REVDAT 2 24-FEB-09 1XS3 1 VERSN
REVDAT 1 29-MAR-05 1XS3 0
JRNL AUTH K.-H.CHIN,F.-Y.LIN,Y.-C.HU,K.-H.SZE,P.-C.LYU,S.H.CHOU
JRNL TITL LETTER TO THE EDITOR: NMR STRUCTURE NOTE - SOLUTION
JRNL TITL 2 STRUCTURE OF A BACTERIAL BOLA-LIKE PROTEIN XC975 FROM A
JRNL TITL 3 PLANT PATHOGEN XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS
JRNL REF J.BIOMOL.NMR V. 31 167 2005
JRNL REFN ISSN 0925-2738
JRNL PMID 15772757
JRNL DOI 10.1007/S10858-004-7804-9
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.3, CYANA 2.0
REMARK 3 AUTHORS : CHIN, KO-HSIN (VNMR), LIN, FU-YANG (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1XS3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-OCT-04.
REMARK 100 THE DEPOSITION ID IS D_1000030702.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.8
REMARK 210 IONIC STRENGTH : 100
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2MM XC975 15N,13C; 20MM
REMARK 210 PHOSPHATE BUFFER, 90% H2O, 10%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE NEWEST, CYANA 2.0, CNS
REMARK 210 NEWEST
REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED
REMARK 210 ANNEALING MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 6
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING MANY 2D AND 3D
REMARK 210 HOMONUCLEAR AND HETERNUCLEAR TECHNIQUES.
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 PRO A 29 -90.98 -69.72
REMARK 500 1 ALA A 78 45.72 -77.43
REMARK 500 2 ARG A 11 176.64 -58.16
REMARK 500 2 PRO A 14 -172.72 -69.84
REMARK 500 2 ASP A 16 -71.08 -38.70
REMARK 500 2 PRO A 29 -91.27 -69.68
REMARK 500 2 PHE A 52 34.97 -85.22
REMARK 500 2 ALA A 78 40.06 -80.94
REMARK 500 3 PRO A 14 -164.64 -69.78
REMARK 500 3 PRO A 29 -91.18 -69.81
REMARK 500 3 PHE A 52 30.18 -84.04
REMARK 500 4 PRO A 29 -91.28 -69.69
REMARK 500 4 GLU A 30 54.74 -100.16
REMARK 500 4 PHE A 52 31.38 -83.86
REMARK 500 4 ALA A 78 47.73 -75.63
REMARK 500 5 PRO A 14 -172.67 -69.70
REMARK 500 5 ASP A 16 -70.56 -120.72
REMARK 500 5 PRO A 29 -90.66 -69.78
REMARK 500 5 PHE A 52 35.90 -89.27
REMARK 500 5 ALA A 78 47.61 -75.73
REMARK 500 6 ARG A 11 41.00 32.45
REMARK 500 6 PRO A 14 14.43 -69.79
REMARK 500 6 LEU A 15 161.56 -39.26
REMARK 500 6 PRO A 29 -90.74 -69.78
REMARK 500 6 PHE A 52 31.06 -90.78
REMARK 500 6 ALA A 56 109.22 -59.49
REMARK 500 6 ALA A 78 47.21 -88.47
REMARK 500 7 LYS A 12 35.60 -98.75
REMARK 500 7 ARG A 13 65.37 -115.15
REMARK 500 7 LEU A 15 -69.73 -128.15
REMARK 500 7 ASP A 16 -69.05 -125.83
REMARK 500 7 PRO A 29 -90.39 -69.80
REMARK 500 7 PHE A 52 36.92 -87.47
REMARK 500 7 ALA A 56 108.00 -58.38
REMARK 500 8 ASP A 16 -70.01 -134.94
REMARK 500 8 PRO A 29 -90.62 -69.76
REMARK 500 8 PHE A 52 38.23 -91.87
REMARK 500 8 ALA A 56 107.44 -58.52
REMARK 500 8 HIS A 77 -17.34 -48.07
REMARK 500 8 ALA A 78 48.70 -74.78
REMARK 500 9 PHE A 52 37.64 -92.22
REMARK 500 9 ALA A 56 107.99 -58.46
REMARK 500 9 ALA A 78 47.94 -75.31
REMARK 500 10 LEU A 15 -72.53 -113.50
REMARK 500 10 ASP A 16 -66.54 -128.63
REMARK 500 10 PRO A 29 -87.83 -69.78
REMARK 500 10 PHE A 52 35.56 -87.11
REMARK 500 10 ALA A 56 108.15 -58.64
REMARK 500 11 ASP A 16 -68.06 -133.29
REMARK 500 11 PRO A 29 -91.22 -69.73
REMARK 500
REMARK 500 THIS ENTRY HAS 96 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1XS3 A 10 89 PDB 1XS3 1XS3 10 89
SEQRES 1 A 80 MET ARG LYS ARG PRO LEU ASP ALA GLU THR ILE ARG LYS
SEQRES 2 A 80 LEU ILE GLU SER GLY LEU PRO GLU ALA ARG VAL ASP VAL
SEQRES 3 A 80 GLN GLY GLU ASP GLY VAL HIS PHE GLU ALA THR VAL VAL
SEQRES 4 A 80 SER PRO ALA PHE VAL GLY LYS ALA PRO LEU ALA ARG HIS
SEQRES 5 A 80 ARG MET VAL TYR ALA THR LEU GLY GLU LEU MET GLY GLY
SEQRES 6 A 80 ALA ILE HIS ALA LEU GLN LEU LYS THR LEU THR PRO ASP
SEQRES 7 A 80 GLU ALA
HELIX 1 1 LEU A 15 LEU A 28 1 14
HELIX 2 2 PRO A 50 VAL A 53 5 4
HELIX 3 3 PRO A 57 LEU A 68 1 12
HELIX 4 4 THR A 85 ALA A 89 5 5
SHEET 1 A 3 ARG A 32 GLN A 36 0
SHEET 2 A 3 GLU A 44 VAL A 48 -1 O VAL A 48 N ARG A 32
SHEET 3 A 3 GLN A 80 LEU A 84 1 O GLN A 80 N ALA A 45
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 2 2 Bytes