Header list of 1z8m.pdb file
Complete list - r 25 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-MAR-05 1Z8M TITLE SOLUTION STRUCTURE OF THE CONSERVED HYPOTHTICAL PROTEIN HP0894 FROM TITLE 2 HELICOBACTER PYLORI COMPND MOL_ID: 1; COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN HP0894; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; SOURCE 3 ORGANISM_TAXID: 85962; SOURCE 4 STRAIN: 26695; SOURCE 5 GENE: HP0894; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21A KEYWDS STRUCTURAL GENOMICS, HP0894, HYPOTHETICAL PROTEIN, HELICOBACTER KEYWDS 2 PYLORI, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 30 AUTHOR K.D.HAN,S.J.PARK,S.B.JANG,B.J.LEE REVDAT 4 13-JUL-11 1Z8M 1 VERSN REVDAT 3 24-FEB-09 1Z8M 1 VERSN REVDAT 2 24-JAN-06 1Z8M 1 JRNL REVDAT 1 01-NOV-05 1Z8M 0 JRNL AUTH K.D.HAN,S.J.PARK,S.B.JANG,W.S.SON,B.J.LEE JRNL TITL SOLUTION STRUCTURE OF CONSERVED HYPOTHETICAL PROTEIN HP0894 JRNL TITL 2 FROM HELICOBACTER PYLORI JRNL REF PROTEINS V. 61 1114 2005 JRNL REFN ISSN 0887-3585 JRNL PMID 16231332 JRNL DOI 10.1002/PROT.20691 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1Z8M COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 01-APR-05. REMARK 100 THE RCSB ID CODE IS RCSB032435. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 5.0 REMARK 210 IONIC STRENGTH : 500MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.08MM HP0894 U-15N, 13C; 20MM REMARK 210 PHOSPHATE BUFFER NA; 500MM NACL; REMARK 210 90% H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N- REMARK 210 SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 3.5, NMRVIEW 5.0.4 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 30 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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 PHE A 14 -69.88 -90.34 REMARK 500 1 ASN A 20 32.02 -98.75 REMARK 500 1 LYS A 37 -20.48 158.27 REMARK 500 1 HIS A 47 -170.04 -172.95 REMARK 500 1 TRP A 53 39.06 -96.56 REMARK 500 1 PRO A 55 47.88 -78.36 REMARK 500 1 CYS A 59 114.22 -171.09 REMARK 500 1 ASP A 73 103.96 -59.95 REMARK 500 1 LEU A 79 -73.30 -88.34 REMARK 500 2 LYS A 37 -20.41 157.45 REMARK 500 2 TRP A 53 33.18 -97.43 REMARK 500 2 ASP A 64 26.88 -144.35 REMARK 500 2 LEU A 79 -70.88 -104.40 REMARK 500 2 GLU A 86 -71.74 -76.28 REMARK 500 3 LEU A 2 -177.25 60.05 REMARK 500 3 PHE A 14 -65.48 -91.35 REMARK 500 3 LYS A 37 -20.60 157.43 REMARK 500 3 CYS A 59 105.10 -171.10 REMARK 500 3 ASP A 64 29.71 -145.13 REMARK 500 3 LEU A 79 -69.05 -94.17 REMARK 500 3 GLU A 86 -72.04 -82.19 REMARK 500 4 PHE A 14 -69.00 -90.59 REMARK 500 4 ASN A 20 36.24 -98.01 REMARK 500 4 LYS A 37 -20.65 159.62 REMARK 500 4 LEU A 49 -167.90 -78.66 REMARK 500 4 ASP A 64 25.02 -142.17 REMARK 500 4 ASP A 73 100.09 -59.53 REMARK 500 5 LEU A 2 169.73 60.84 REMARK 500 5 PHE A 14 -62.04 -91.70 REMARK 500 5 VAL A 30 -72.20 -77.72 REMARK 500 5 LYS A 36 -55.83 -121.38 REMARK 500 5 LYS A 37 -20.44 152.04 REMARK 500 5 TRP A 53 39.28 -96.81 REMARK 500 5 PRO A 55 37.64 -83.10 REMARK 500 5 CYS A 59 111.93 -166.56 REMARK 500 5 ASP A 74 30.97 -164.93 REMARK 500 6 LEU A 2 176.42 57.05 REMARK 500 6 PHE A 14 -67.08 -90.74 REMARK 500 6 LYS A 37 -20.38 150.83 REMARK 500 6 TRP A 53 38.26 -96.18 REMARK 500 6 CYS A 59 117.45 -162.71 REMARK 500 6 ASP A 64 26.09 -142.27 REMARK 500 6 ASP A 73 104.04 -58.76 REMARK 500 6 LEU A 79 -62.68 -94.36 REMARK 500 7 ASN A 20 38.01 -96.64 REMARK 500 7 VAL A 30 -72.46 -66.27 REMARK 500 7 LYS A 37 70.73 52.59 REMARK 500 7 GLN A 45 61.33 63.29 REMARK 500 7 LEU A 49 -167.55 -104.44 REMARK 500 7 TRP A 53 39.33 -96.69 REMARK 500 REMARK 500 THIS ENTRY HAS 233 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1Z8M A 1 88 UNP O25554 O25554_HELPY 1 88 SEQRES 1 A 88 MET LEU LYS LEU ASN LEU LYS LYS SER PHE GLN LYS ASP SEQRES 2 A 88 PHE ASP LYS LEU LEU LEU ASN GLY PHE ASP ASP SER VAL SEQRES 3 A 88 LEU ASN GLU VAL ILE LEU THR LEU ARG LYS LYS GLU PRO SEQRES 4 A 88 LEU ASP PRO GLN PHE GLN ASP HIS ALA LEU LYS GLY LYS SEQRES 5 A 88 TRP LYS PRO PHE ARG GLU CYS HIS ILE LYS PRO ASP VAL SEQRES 6 A 88 LEU LEU VAL TYR LEU VAL LYS ASP ASP GLU LEU ILE LEU SEQRES 7 A 88 LEU ARG LEU GLY SER HIS SER GLU LEU PHE HELIX 1 1 LYS A 7 LEU A 19 1 13 HELIX 2 2 ASP A 23 ARG A 35 1 13 HELIX 3 3 ASP A 41 GLN A 45 5 5 HELIX 4 4 LYS A 50 LYS A 54 5 5 SHEET 1 A 2 HIS A 47 ALA A 48 0 SHEET 2 A 2 ARG A 57 GLU A 58 -1 O GLU A 58 N HIS A 47 SHEET 1 B 2 LEU A 66 LYS A 72 0 SHEET 2 B 2 GLU A 75 GLY A 82 -1 O ARG A 80 N VAL A 68 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 25 2 Bytes