Header list of 1x5k.pdb file
Complete list - r 2 2 Bytes
HEADER CELL ADHESION 15-MAY-05 1X5K TITLE THE SOLUTION STRUCTURE OF THE SIXTH FIBRONECTIN TYPE III DOMAIN OF TITLE 2 HUMAN NEOGENIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: NEOGENIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: FN3 DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: NEO1; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P041213-07; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS RGM BINDING, FIBRONECTIN TYPE III DOMAIN, STRUCTURAL GENOMICS, KEYWDS 2 NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL KEYWDS 3 ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, KEYWDS 4 CELL ADHESION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1X5K 1 REMARK SEQADV REVDAT 2 24-FEB-09 1X5K 1 VERSN REVDAT 1 15-NOV-05 1X5K 0 JRNL AUTH N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA JRNL TITL THE SOLUTION STRUCTURE OF THE SIXTH FIBRONECTIN TYPE III JRNL TITL 2 DOMAIN OF HUMAN NEOGENIN JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR 2.6, CYANA 2.0.17 REMARK 3 AUTHORS : BRUKER (XWINNMR), GUNTERT, P. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1X5K COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 18-MAY-05. REMARK 100 THE DEPOSITION ID IS D_1000024406. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 120MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.3MM FN3 DOMAIN U-15N,13C; 20MM REMARK 210 D-TRIS HCL; 100MM NACL; 1MM D- REMARK 210 DTT; 0.02% NAN3; 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 20031121, NMRVIEW 5.0.4, REMARK 210 KUJIRA 0.9295, CYANA 2.0.17 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION,STRUCTURES WITH REMARK 210 THE LEAST RESTRAINT VIOLATIONS 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 ALA A 9 46.12 -83.59 REMARK 500 1 VAL A 17 153.46 -47.29 REMARK 500 1 PRO A 18 93.56 -69.70 REMARK 500 1 THR A 19 30.69 -83.80 REMARK 500 1 ALA A 47 52.98 34.66 REMARK 500 1 ASN A 48 -34.30 -34.43 REMARK 500 1 THR A 52 -30.41 -130.65 REMARK 500 1 ILE A 66 -31.98 -34.92 REMARK 500 1 ASN A 77 43.20 39.03 REMARK 500 1 ASP A 89 47.44 39.21 REMARK 500 1 LYS A 102 -73.18 -68.06 REMARK 500 1 PRO A 116 -163.80 -69.74 REMARK 500 1 SER A 123 131.87 -173.32 REMARK 500 2 ALA A 9 47.92 -93.67 REMARK 500 2 THR A 12 134.66 -35.72 REMARK 500 2 PHE A 14 108.75 -174.85 REMARK 500 2 PRO A 18 94.82 -69.71 REMARK 500 2 GLU A 46 58.71 -97.30 REMARK 500 2 ASN A 48 -36.10 -34.24 REMARK 500 2 SER A 59 146.80 -171.94 REMARK 500 2 ASN A 77 54.70 34.70 REMARK 500 2 ALA A 110 144.43 -35.07 REMARK 500 2 PRO A 116 -163.72 -69.80 REMARK 500 2 PRO A 121 96.18 -69.74 REMARK 500 3 SER A 2 107.67 -167.55 REMARK 500 3 GLU A 15 -177.45 -55.31 REMARK 500 3 ASP A 24 54.01 39.80 REMARK 500 3 ASN A 48 -32.62 -34.67 REMARK 500 3 LYS A 102 -75.23 -65.29 REMARK 500 3 PRO A 116 -163.83 -69.81 REMARK 500 4 HIS A 10 130.73 -38.04 REMARK 500 4 THR A 12 95.10 -66.48 REMARK 500 4 VAL A 17 154.01 -45.86 REMARK 500 4 LYS A 30 152.23 -47.53 REMARK 500 4 ALA A 47 51.11 37.71 REMARK 500 4 THR A 60 32.30 -87.92 REMARK 500 4 ILE A 66 -26.09 -39.16 REMARK 500 4 ASP A 89 45.32 36.27 REMARK 500 4 LYS A 102 -75.35 -85.23 REMARK 500 4 ALA A 110 120.10 -37.92 REMARK 500 4 PRO A 116 -163.83 -69.74 REMARK 500 5 PRO A 18 96.89 -69.73 REMARK 500 5 PRO A 22 -166.82 -69.78 REMARK 500 5 ALA A 47 52.26 35.87 REMARK 500 5 ASN A 48 -31.22 -35.65 REMARK 500 5 ASN A 77 41.59 -83.71 REMARK 500 5 ASP A 89 40.52 39.75 REMARK 500 5 LYS A 102 -71.98 -73.43 REMARK 500 5 ALA A 110 108.97 -57.35 REMARK 500 5 PRO A 116 -163.82 -69.78 REMARK 500 REMARK 500 THIS ENTRY HAS 193 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSO002001179.6 RELATED DB: TARGETDB DBREF 1X5K A 8 118 UNP Q92859 NEO1_HUMAN 944 1054 SEQADV 1X5K GLY A 1 UNP Q92859 CLONING ARTIFACT SEQADV 1X5K SER A 2 UNP Q92859 CLONING ARTIFACT SEQADV 1X5K SER A 3 UNP Q92859 CLONING ARTIFACT SEQADV 1X5K GLY A 4 UNP Q92859 CLONING ARTIFACT SEQADV 1X5K SER A 5 UNP Q92859 CLONING ARTIFACT SEQADV 1X5K SER A 6 UNP Q92859 CLONING ARTIFACT SEQADV 1X5K GLY A 7 UNP Q92859 CLONING ARTIFACT SEQADV 1X5K SER A 119 UNP Q92859 CLONING ARTIFACT SEQADV 1X5K GLY A 120 UNP Q92859 CLONING ARTIFACT SEQADV 1X5K PRO A 121 UNP Q92859 CLONING ARTIFACT SEQADV 1X5K SER A 122 UNP Q92859 CLONING ARTIFACT SEQADV 1X5K SER A 123 UNP Q92859 CLONING ARTIFACT SEQADV 1X5K GLY A 124 UNP Q92859 CLONING ARTIFACT SEQRES 1 A 124 GLY SER SER GLY SER SER GLY THR ALA HIS GLY THR THR SEQRES 2 A 124 PHE GLU LEU VAL PRO THR SER PRO PRO LYS ASP VAL THR SEQRES 3 A 124 VAL VAL SER LYS GLU GLY LYS PRO LYS THR ILE ILE VAL SEQRES 4 A 124 ASN TRP GLN PRO PRO SER GLU ALA ASN GLY LYS ILE THR SEQRES 5 A 124 GLY TYR ILE ILE TYR TYR SER THR ASP VAL ASN ALA GLU SEQRES 6 A 124 ILE HIS ASP TRP VAL ILE GLU PRO VAL VAL GLY ASN ARG SEQRES 7 A 124 LEU THR HIS GLN ILE GLN GLU LEU THR LEU ASP THR PRO SEQRES 8 A 124 TYR TYR PHE LYS ILE GLN ALA ARG ASN SER LYS GLY MET SEQRES 9 A 124 GLY PRO MET SER GLU ALA VAL GLN PHE ARG THR PRO LYS SEQRES 10 A 124 ALA SER GLY PRO SER SER GLY SHEET 1 A 3 LYS A 23 SER A 29 0 SHEET 2 A 3 ILE A 37 GLN A 42 -1 O GLN A 42 N LYS A 23 SHEET 3 A 3 THR A 80 ILE A 83 -1 O HIS A 81 N VAL A 39 SHEET 1 B 4 VAL A 70 VAL A 74 0 SHEET 2 B 4 GLY A 53 SER A 59 -1 N TYR A 54 O VAL A 74 SHEET 3 B 4 PRO A 91 ARG A 99 -1 O LYS A 95 N TYR A 57 SHEET 4 B 4 VAL A 111 ARG A 114 -1 O VAL A 111 N PHE A 94 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