Header list of 1ujt.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-AUG-03 1UJT TITLE SOLUTION STRUCTURE OF THE SECOND FIBRONECTIN TYPE III DOMAIN OF HUMAN TITLE 2 KIAA1568 PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: KIAA1568 PROTEIN; 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: KAZUSA CDNA FH22308; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P021007-59; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS FIBRONECTIN TYPE III DOMAIN, STRUCTURAL GENOMICS, RIKEN STRUCTURAL KEYWDS 2 GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR N.TOCHIO,S.KOSHIBA,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1UJT 1 REMARK SEQADV REVDAT 2 24-FEB-09 1UJT 1 VERSN REVDAT 1 11-FEB-04 1UJT 0 JRNL AUTH N.TOCHIO,S.KOSHIBA,T.KIGAWA,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF THE SECOND FIBRONECTIN TYPE III DOMAIN JRNL TITL 2 OF HUMAN KIAA1568 PROTEIN 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 1UJT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 12-AUG-03. REMARK 100 THE DEPOSITION ID IS D_1000005905. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 120MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.0MM FN3 DOMAIN U-15N,13C; 20MM REMARK 210 PHOSPHATE BUFFER NA; 100MM NACL; REMARK 210 0.02% NAN3; 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N REMARK 210 -SEPARATED_NOESY; 2D_TROSY_HNCO REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 3.1, NMRPIPE 200204025, REMARK 210 NMRVIEW 5.0.4, KUJIRA 0.816, REMARK 210 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 : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY, TARGET FUNCTION 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 LEU A 14 -72.49 -33.54 REMARK 500 1 VAL A 17 117.12 -33.78 REMARK 500 1 HIS A 22 -74.00 -68.49 REMARK 500 1 ASN A 23 139.34 -175.00 REMARK 500 1 PRO A 24 80.26 -69.74 REMARK 500 1 VAL A 25 106.85 -48.62 REMARK 500 1 ILE A 45 146.32 -33.79 REMARK 500 1 THR A 55 -32.24 -132.47 REMARK 500 1 THR A 61 36.31 34.15 REMARK 500 1 SER A 63 114.63 -164.12 REMARK 500 1 PRO A 72 1.67 -69.79 REMARK 500 1 TYR A 95 139.88 -171.21 REMARK 500 1 PHE A 96 -75.30 -96.74 REMARK 500 1 ASN A 97 -73.06 -107.90 REMARK 500 1 GLU A 105 102.02 -58.41 REMARK 500 1 THR A 112 169.61 -44.87 REMARK 500 1 PRO A 117 92.51 -69.75 REMARK 500 2 VAL A 17 122.48 -34.25 REMARK 500 2 LEU A 18 79.16 -106.31 REMARK 500 2 PRO A 24 98.84 -69.75 REMARK 500 2 PRO A 29 2.42 -69.75 REMARK 500 2 ILE A 45 142.97 -33.45 REMARK 500 2 LYS A 70 32.04 70.23 REMARK 500 2 PRO A 72 3.20 -69.84 REMARK 500 2 PHE A 96 -75.04 -98.04 REMARK 500 2 GLU A 98 -33.13 -133.63 REMARK 500 2 MET A 102 125.43 -36.43 REMARK 500 2 GLU A 105 99.67 -58.92 REMARK 500 2 THR A 112 163.29 -42.15 REMARK 500 2 GLU A 113 -60.36 -100.09 REMARK 500 2 SER A 115 99.77 -62.46 REMARK 500 3 SER A 5 117.66 -175.01 REMARK 500 3 LYS A 12 -64.35 -108.79 REMARK 500 3 ASN A 23 133.60 -37.95 REMARK 500 3 PRO A 24 92.60 -69.80 REMARK 500 3 VAL A 25 105.74 -59.52 REMARK 500 3 VAL A 26 89.04 -69.72 REMARK 500 3 ILE A 45 137.32 -31.53 REMARK 500 3 SER A 63 120.59 -172.03 REMARK 500 3 PHE A 96 -75.21 -104.18 REMARK 500 3 ASN A 97 -62.04 -102.28 REMARK 500 3 GLU A 98 -48.35 -133.46 REMARK 500 3 PHE A 99 179.05 -52.30 REMARK 500 3 THR A 112 176.27 -52.14 REMARK 500 3 GLU A 113 -51.52 -124.65 REMARK 500 4 LEU A 14 -73.94 -33.44 REMARK 500 4 VAL A 17 140.11 -35.90 REMARK 500 4 PRO A 24 87.58 -69.74 REMARK 500 4 VAL A 25 105.13 -50.19 REMARK 500 4 ILE A 45 151.83 -44.96 REMARK 500 REMARK 500 THIS ENTRY HAS 277 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSK002001540.2 RELATED DB: TARGETDB DBREF 1UJT A 8 114 UNP Q9HCK4 ROBO2_HUMAN 630 736 SEQADV 1UJT GLY A 1 UNP Q9HCK4 CLONING ARTIFACT SEQADV 1UJT SER A 2 UNP Q9HCK4 CLONING ARTIFACT SEQADV 1UJT SER A 3 UNP Q9HCK4 CLONING ARTIFACT SEQADV 1UJT GLY A 4 UNP Q9HCK4 CLONING ARTIFACT SEQADV 1UJT SER A 5 UNP Q9HCK4 CLONING ARTIFACT SEQADV 1UJT SER A 6 UNP Q9HCK4 CLONING ARTIFACT SEQADV 1UJT GLY A 7 UNP Q9HCK4 CLONING ARTIFACT SEQADV 1UJT SER A 115 UNP Q9HCK4 CLONING ARTIFACT SEQADV 1UJT GLY A 116 UNP Q9HCK4 CLONING ARTIFACT SEQADV 1UJT PRO A 117 UNP Q9HCK4 CLONING ARTIFACT SEQADV 1UJT SER A 118 UNP Q9HCK4 CLONING ARTIFACT SEQADV 1UJT SER A 119 UNP Q9HCK4 CLONING ARTIFACT SEQADV 1UJT GLY A 120 UNP Q9HCK4 CLONING ARTIFACT SEQRES 1 A 120 GLY SER SER GLY SER SER GLY ARG GLN VAL GLN LYS GLU SEQRES 2 A 120 LEU GLY ASP VAL LEU VAL ARG LEU HIS ASN PRO VAL VAL SEQRES 3 A 120 LEU THR PRO THR THR VAL GLN VAL THR TRP THR VAL ASP SEQRES 4 A 120 ARG GLN PRO GLN PHE ILE GLN GLY TYR ARG VAL MET TYR SEQRES 5 A 120 ARG GLN THR SER GLY LEU GLN ALA THR SER SER TRP GLN SEQRES 6 A 120 ASN LEU ASP ALA LYS VAL PRO THR GLU ARG SER ALA VAL SEQRES 7 A 120 LEU VAL ASN LEU LYS LYS GLY VAL THR TYR GLU ILE LYS SEQRES 8 A 120 VAL ARG PRO TYR PHE ASN GLU PHE GLN GLY MET ASP SER SEQRES 9 A 120 GLU SER LYS THR VAL ARG THR THR GLU GLU SER GLY PRO SEQRES 10 A 120 SER SER GLY HELIX 1 1 GLN A 9 VAL A 17 1 9 SHEET 1 A 3 VAL A 19 LEU A 21 0 SHEET 2 A 3 THR A 31 VAL A 38 -1 O THR A 37 N ARG A 20 SHEET 3 A 3 SER A 76 VAL A 80 -1 O ALA A 77 N VAL A 34 SHEET 1 B 4 GLN A 65 ASP A 68 0 SHEET 2 B 4 GLY A 47 GLN A 54 -1 N TYR A 52 O GLN A 65 SHEET 3 B 4 VAL A 86 TYR A 95 -1 O ARG A 93 N ARG A 49 SHEET 4 B 4 LYS A 107 THR A 111 -1 O VAL A 109 N TYR A 88 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