Header list of 1x5g.pdb file
Complete list - r 2 2 Bytes
HEADER CELL ADHESION 15-MAY-05 1X5G TITLE THE SOLUTION STRUCTURE OF THE SECOND 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: P041213-03; 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 1X5G 1 REMARK SEQADV REVDAT 2 24-FEB-09 1X5G 1 VERSN REVDAT 1 15-NOV-05 1X5G 0 JRNL AUTH N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA JRNL TITL THE SOLUTION STRUCTURE OF THE SECOND 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 3.5, CYANA 2.0.17 REMARK 3 AUTHORS : BRUKER (XWINNMR), GUNTERT, P. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1X5G 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_1000024402. 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 : 1.9MM 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 : 900 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 SER A 5 109.65 -35.14 REMARK 500 1 GLU A 10 37.83 -84.06 REMARK 500 1 PRO A 13 -163.94 -69.78 REMARK 500 1 GLU A 14 -176.88 -52.28 REMARK 500 1 PRO A 22 -177.37 -69.72 REMARK 500 1 LYS A 58 100.05 -55.46 REMARK 500 1 VAL A 98 160.51 -41.04 REMARK 500 1 PRO A 113 2.84 -69.80 REMARK 500 1 SER A 114 107.71 -34.62 REMARK 500 2 GLN A 12 146.08 -174.26 REMARK 500 2 GLN A 16 46.47 -81.02 REMARK 500 2 PRO A 22 -178.32 -69.75 REMARK 500 2 PRO A 31 0.53 -69.76 REMARK 500 2 LYS A 58 98.14 -57.25 REMARK 500 2 LYS A 93 -39.92 -39.58 REMARK 500 2 PRO A 96 97.70 -69.75 REMARK 500 2 VAL A 98 175.09 -47.11 REMARK 500 2 ASP A 102 133.46 -38.80 REMARK 500 3 SER A 2 -43.67 -132.30 REMARK 500 3 PRO A 13 -166.31 -69.81 REMARK 500 3 GLN A 16 42.28 74.33 REMARK 500 3 PRO A 18 -172.61 -69.69 REMARK 500 3 PRO A 22 -175.16 -69.77 REMARK 500 3 ASN A 23 49.98 39.40 REMARK 500 3 LYS A 58 101.80 -33.68 REMARK 500 3 LYS A 93 -34.33 -35.33 REMARK 500 3 VAL A 98 -177.34 -69.68 REMARK 500 3 ASP A 102 130.57 -39.08 REMARK 500 4 PRO A 18 -176.27 -69.76 REMARK 500 4 PRO A 22 -178.39 -69.78 REMARK 500 4 LYS A 58 99.09 -55.65 REMARK 500 4 ASP A 102 132.37 -38.94 REMARK 500 4 VAL A 103 79.75 -118.01 REMARK 500 4 SER A 115 152.45 -40.69 REMARK 500 5 PRO A 13 -174.94 -69.77 REMARK 500 5 GLN A 16 33.88 -93.00 REMARK 500 5 ALA A 21 107.04 -50.77 REMARK 500 5 PRO A 22 -176.02 -69.74 REMARK 500 5 ASN A 23 44.50 39.35 REMARK 500 5 ILE A 48 105.76 -53.88 REMARK 500 5 LYS A 58 100.46 -53.44 REMARK 500 5 SER A 69 53.49 -105.47 REMARK 500 5 SER A 111 -54.52 -120.56 REMARK 500 6 PRO A 13 -178.45 -69.77 REMARK 500 6 PRO A 22 -177.17 -69.81 REMARK 500 6 ASN A 23 52.54 35.31 REMARK 500 6 PRO A 31 1.51 -69.72 REMARK 500 6 LYS A 58 91.83 -53.72 REMARK 500 6 VAL A 98 -175.52 -55.57 REMARK 500 6 THR A 100 154.66 -40.88 REMARK 500 REMARK 500 THIS ENTRY HAS 189 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSO002001179.2 RELATED DB: TARGETDB DBREF 1X5G A 8 110 UNP Q92859 NEO1_HUMAN 529 631 SEQADV 1X5G GLY A 1 UNP Q92859 CLONING ARTIFACT SEQADV 1X5G SER A 2 UNP Q92859 CLONING ARTIFACT SEQADV 1X5G SER A 3 UNP Q92859 CLONING ARTIFACT SEQADV 1X5G GLY A 4 UNP Q92859 CLONING ARTIFACT SEQADV 1X5G SER A 5 UNP Q92859 CLONING ARTIFACT SEQADV 1X5G SER A 6 UNP Q92859 CLONING ARTIFACT SEQADV 1X5G GLY A 7 UNP Q92859 CLONING ARTIFACT SEQADV 1X5G SER A 111 UNP Q92859 CLONING ARTIFACT SEQADV 1X5G GLY A 112 UNP Q92859 CLONING ARTIFACT SEQADV 1X5G PRO A 113 UNP Q92859 CLONING ARTIFACT SEQADV 1X5G SER A 114 UNP Q92859 CLONING ARTIFACT SEQADV 1X5G SER A 115 UNP Q92859 CLONING ARTIFACT SEQADV 1X5G GLY A 116 UNP Q92859 CLONING ARTIFACT SEQRES 1 A 116 GLY SER SER GLY SER SER GLY ARG VAL GLU THR GLN PRO SEQRES 2 A 116 GLU VAL GLN LEU PRO GLY PRO ALA PRO ASN LEU ARG ALA SEQRES 3 A 116 TYR ALA ALA SER PRO THR SER ILE THR VAL THR TRP GLU SEQRES 4 A 116 THR PRO VAL SER GLY ASN GLY GLU ILE GLN ASN TYR LYS SEQRES 5 A 116 LEU TYR TYR MET GLU LYS GLY THR ASP LYS GLU GLN ASP SEQRES 6 A 116 VAL ASP VAL SER SER HIS SER TYR THR ILE ASN GLY LEU SEQRES 7 A 116 LYS LYS TYR THR GLU TYR SER PHE ARG VAL VAL ALA TYR SEQRES 8 A 116 ASN LYS HIS GLY PRO GLY VAL SER THR PRO ASP VAL ALA SEQRES 9 A 116 VAL ARG THR LEU SER ASP SER GLY PRO SER SER GLY SHEET 1 A 3 ARG A 25 SER A 30 0 SHEET 2 A 3 SER A 33 THR A 37 -1 O THR A 37 N ARG A 25 SHEET 3 A 3 SER A 72 ILE A 75 -1 O ILE A 75 N ILE A 34 SHEET 1 B 4 VAL A 66 VAL A 68 0 SHEET 2 B 4 ASN A 50 GLU A 57 -1 N TYR A 51 O VAL A 68 SHEET 3 B 4 GLU A 83 TYR A 91 -1 O SER A 85 N MET A 56 SHEET 4 B 4 VAL A 105 ARG A 106 -1 O VAL A 105 N TYR A 84 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