Header list of 1x3d.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 02-MAY-05 1X3D TITLE SOLUTION STRUCTURE OF THE FIBRONECTIN TYPE-III DOMAIN OF HUMAN TITLE 2 FIBRONECTIN TYPE-III DOMAIN CONTAINING PROTEIN 3A COMPND MOL_ID: 1; COMPND 2 MOLECULE: FIBRONECTIN TYPE-III DOMAIN CONTAINING PROTEIN 3A; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: FIBRONECTIN TYPE-III 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: FNDC3A; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040628-01; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS FIBRONECTIN TYPE III DOMAIN CONTAINING PROTEIN, STRUCTURAL GENOMICS, KEYWDS 2 NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL KEYWDS 3 ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, KEYWDS 4 UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR M.YONEYAMA,N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 4 02-MAR-22 1X3D 1 REMARK SEQADV REVDAT 3 24-FEB-09 1X3D 1 VERSN REVDAT 2 17-JAN-06 1X3D 1 JRNL TITLE REVDAT 1 02-NOV-05 1X3D 0 JRNL AUTH M.YONEYAMA,N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF THE FIBRONECTIN TYPE-III DOMAIN OF JRNL TITL 2 HUMAN FIBRONECTIN TYPE-III DOMAIN CONTAINING PROTEIN 3A 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), GUENTERT, P. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1X3D COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 10-MAY-05. REMARK 100 THE DEPOSITION ID IS D_1000024327. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 296 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 120 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.16MM FN3 DOMAIN U-15N, 13C; REMARK 210 20MM D-TRIS-HCL (PH7.0); 100MM REMARK 210 NACL; 5MM D-DTT; 0.02% NAN3; 10% REMARK 210 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 ILE A 10 147.83 -34.87 REMARK 500 1 ASN A 28 114.04 -175.25 REMARK 500 1 PRO A 41 -165.50 -69.77 REMARK 500 1 ASP A 56 35.44 -88.76 REMARK 500 1 GLU A 57 30.20 38.67 REMARK 500 1 GLN A 72 153.95 -38.07 REMARK 500 1 TYR A 96 -70.79 -64.55 REMARK 500 1 SER A 102 176.78 -50.33 REMARK 500 1 THR A 109 155.22 -43.13 REMARK 500 1 SER A 110 163.18 -47.20 REMARK 500 1 CYS A 112 151.32 -39.92 REMARK 500 2 SER A 3 137.25 -172.28 REMARK 500 2 THR A 13 176.06 -57.09 REMARK 500 2 GLU A 17 144.78 -39.27 REMARK 500 2 ASN A 28 113.92 -175.58 REMARK 500 2 PRO A 41 -169.86 -69.81 REMARK 500 2 ASP A 56 33.11 -84.31 REMARK 500 2 GLU A 57 37.58 36.30 REMARK 500 2 GLN A 72 157.14 -38.45 REMARK 500 2 SER A 102 176.85 -54.16 REMARK 500 2 THR A 109 167.32 -48.58 REMARK 500 3 SER A 15 106.18 -168.17 REMARK 500 3 GLU A 17 150.60 -34.69 REMARK 500 3 PRO A 18 -176.70 -69.76 REMARK 500 3 ASN A 28 113.87 -175.54 REMARK 500 3 PRO A 41 -168.22 -69.74 REMARK 500 3 GLN A 49 -70.08 -49.92 REMARK 500 3 ASP A 56 36.71 -90.03 REMARK 500 3 GLU A 57 35.92 34.43 REMARK 500 3 GLN A 66 109.57 -58.05 REMARK 500 3 GLN A 72 152.44 -36.30 REMARK 500 3 TYR A 96 -70.06 -78.12 REMARK 500 3 SER A 117 108.55 -52.76 REMARK 500 4 SER A 6 145.55 -170.40 REMARK 500 4 THR A 13 163.68 -47.38 REMARK 500 4 SER A 15 56.58 -115.13 REMARK 500 4 GLU A 17 154.79 -42.35 REMARK 500 4 PRO A 18 -174.40 -69.73 REMARK 500 4 ASN A 28 115.17 -175.28 REMARK 500 4 PRO A 41 -164.12 -69.71 REMARK 500 4 ASP A 56 35.57 -96.56 REMARK 500 4 GLU A 57 28.51 37.34 REMARK 500 4 GLN A 66 108.24 -52.14 REMARK 500 4 TYR A 96 -71.16 -70.93 REMARK 500 4 SER A 102 170.01 -52.60 REMARK 500 4 THR A 109 156.84 -46.74 REMARK 500 4 PRO A 115 -179.75 -69.76 REMARK 500 5 THR A 13 161.19 -44.44 REMARK 500 5 GLU A 17 147.46 -36.67 REMARK 500 5 PRO A 18 -175.85 -69.69 REMARK 500 REMARK 500 THIS ENTRY HAS 229 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSK002100947.4 RELATED DB: TARGETDB DBREF 1X3D A 8 112 UNP Q9Y2H6 FNDC3_HUMAN 297 401 SEQADV 1X3D GLY A 1 UNP Q9Y2H6 CLONING ARTIFACT SEQADV 1X3D SER A 2 UNP Q9Y2H6 CLONING ARTIFACT SEQADV 1X3D SER A 3 UNP Q9Y2H6 CLONING ARTIFACT SEQADV 1X3D GLY A 4 UNP Q9Y2H6 CLONING ARTIFACT SEQADV 1X3D SER A 5 UNP Q9Y2H6 CLONING ARTIFACT SEQADV 1X3D SER A 6 UNP Q9Y2H6 CLONING ARTIFACT SEQADV 1X3D GLY A 7 UNP Q9Y2H6 CLONING ARTIFACT SEQADV 1X3D SER A 113 UNP Q9Y2H6 CLONING ARTIFACT SEQADV 1X3D GLY A 114 UNP Q9Y2H6 CLONING ARTIFACT SEQADV 1X3D PRO A 115 UNP Q9Y2H6 CLONING ARTIFACT SEQADV 1X3D SER A 116 UNP Q9Y2H6 CLONING ARTIFACT SEQADV 1X3D SER A 117 UNP Q9Y2H6 CLONING ARTIFACT SEQADV 1X3D GLY A 118 UNP Q9Y2H6 CLONING ARTIFACT SEQRES 1 A 118 GLY SER SER GLY SER SER GLY ALA GLU ILE PHE THR THR SEQRES 2 A 118 LEU SER CYS GLU PRO ASP ILE PRO ASN PRO PRO ARG ILE SEQRES 3 A 118 ALA ASN ARG THR LYS ASN SER LEU THR LEU GLN TRP LYS SEQRES 4 A 118 ALA PRO SER ASP ASN GLY SER LYS ILE GLN ASN PHE VAL SEQRES 5 A 118 LEU GLU TRP ASP GLU GLY LYS GLY ASN GLY GLU PHE CYS SEQRES 6 A 118 GLN CYS TYR MET GLY SER GLN LYS GLN PHE LYS ILE THR SEQRES 7 A 118 LYS LEU SER PRO ALA MET GLY CYS LYS PHE ARG LEU SER SEQRES 8 A 118 ALA ARG ASN ASP TYR GLY THR SER GLY PHE SER GLU GLU SEQRES 9 A 118 VAL LEU TYR TYR THR SER GLY CYS SER GLY PRO SER SER SEQRES 10 A 118 GLY SHEET 1 A 3 ARG A 25 THR A 30 0 SHEET 2 A 3 SER A 33 GLN A 37 -1 O THR A 35 N ASN A 28 SHEET 3 A 3 GLN A 74 THR A 78 -1 O ILE A 77 N LEU A 34 SHEET 1 B 3 CYS A 65 GLY A 70 0 SHEET 2 B 3 ILE A 48 TRP A 55 -1 N PHE A 51 O GLY A 70 SHEET 3 B 3 ALA A 92 ASN A 94 -1 O ARG A 93 N ASN A 50 SHEET 1 C 4 CYS A 65 GLY A 70 0 SHEET 2 C 4 ILE A 48 TRP A 55 -1 N PHE A 51 O GLY A 70 SHEET 3 C 4 GLY A 85 ARG A 89 -1 O ARG A 89 N GLU A 54 SHEET 4 C 4 VAL A 105 TYR A 108 -1 O TYR A 107 N CYS A 86 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