Header list of 1wjs.pdb file
Complete list - r 2 2 Bytes
HEADER PROTEIN BINDING 29-MAY-04 1WJS TITLE SOLUTION STRUCTURE OF THE FIRST MBT DOMAIN FROM HUMAN KIAA1798 PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: KIAA1798 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: MBT 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 FJ20547; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040119-27; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS MBT DOMAIN, KIAA1798, STRUCTURAL GENOMICS, RIKEN STRUCTURAL KEYWDS 2 GENOMICS/PROTEOMICS INITIATIVE, RSGI, PROTEIN BINDING EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR T.TOMIZAWA,T.KIGAWA,S.KOSHIBA,M.INOUE,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1WJS 1 REMARK SEQADV REVDAT 2 24-FEB-09 1WJS 1 VERSN REVDAT 1 29-NOV-04 1WJS 0 JRNL AUTH T.TOMIZAWA,T.KIGAWA,S.KOSHIBA,M.INOUE,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF THE FIRST MBT DOMAIN FROM HUMAN JRNL TITL 2 KIAA1798 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 1WJS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 09-JUN-04. REMARK 100 THE DEPOSITION ID IS D_1000023652. 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 : 120MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.03MM MBT DOMAIN U-15N,13C; REMARK 210 20MM D-TRIS-HCL(PH 7.0); 100MM REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3; 10% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N 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 20030801, NMRVIEW 5.0.4, REMARK 210 KUJIRA 0.901, 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 LEAST REMARK 210 RESTRAINT VIOLATIONS, STRUCTURES REMARK 210 WITH THE LOWEST ENERGY, TARGET REMARK 210 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 SER A 5 100.42 -58.98 REMARK 500 1 LYS A 11 151.93 -41.11 REMARK 500 1 TYR A 42 35.88 -88.75 REMARK 500 1 TYR A 55 36.80 -91.17 REMARK 500 1 PRO A 82 -167.38 -69.70 REMARK 500 1 TRP A 92 -72.04 -34.60 REMARK 500 1 LYS A 100 39.30 31.33 REMARK 500 1 GLU A 110 34.42 -85.89 REMARK 500 1 PRO A 118 2.68 -69.78 REMARK 500 2 ASN A 12 32.07 -90.36 REMARK 500 2 PRO A 25 2.88 -69.76 REMARK 500 2 TYR A 51 -175.93 -58.45 REMARK 500 2 TYR A 55 31.74 -93.86 REMARK 500 2 PRO A 82 -167.51 -69.80 REMARK 500 2 GLU A 89 30.53 -89.87 REMARK 500 2 TRP A 92 -71.07 -58.38 REMARK 500 2 LYS A 100 37.88 31.46 REMARK 500 2 PHE A 109 56.35 -117.59 REMARK 500 2 ASN A 111 43.08 -104.52 REMARK 500 2 PHE A 121 119.74 -165.84 REMARK 500 3 SER A 5 45.51 -94.50 REMARK 500 3 PRO A 25 1.81 -69.77 REMARK 500 3 TYR A 42 36.77 34.13 REMARK 500 3 TYR A 51 137.41 -34.19 REMARK 500 3 SER A 52 150.67 -44.04 REMARK 500 3 ASP A 53 32.74 -86.41 REMARK 500 3 TYR A 55 36.86 -85.62 REMARK 500 3 ASP A 62 42.20 -108.33 REMARK 500 3 PRO A 82 -170.24 -69.78 REMARK 500 3 TRP A 92 -70.02 -57.91 REMARK 500 3 LYS A 100 39.88 31.33 REMARK 500 3 PHE A 109 54.41 -102.75 REMARK 500 3 GLU A 110 40.18 -101.41 REMARK 500 3 PHE A 121 116.94 -162.98 REMARK 500 3 PRO A 124 90.32 -69.76 REMARK 500 4 ASN A 10 -72.45 -97.02 REMARK 500 4 LYS A 11 143.77 -36.29 REMARK 500 4 PRO A 25 2.65 -69.77 REMARK 500 4 VAL A 36 103.38 -59.31 REMARK 500 4 TYR A 42 35.53 -98.25 REMARK 500 4 ASP A 53 34.92 -86.40 REMARK 500 4 TYR A 55 38.09 -92.54 REMARK 500 4 PRO A 82 -170.36 -69.78 REMARK 500 4 TRP A 92 -71.09 -46.28 REMARK 500 4 LYS A 100 46.65 38.50 REMARK 500 4 ALA A 104 151.02 -48.17 REMARK 500 4 GLU A 110 35.79 -97.11 REMARK 500 4 PRO A 124 95.64 -69.75 REMARK 500 4 SER A 126 -54.64 -131.67 REMARK 500 5 PHE A 14 172.08 -54.23 REMARK 500 REMARK 500 THIS ENTRY HAS 228 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSK002001766.1 RELATED DB: TARGETDB DBREF 1WJS A 8 121 UNP Q96JM7 LMBL3_HUMAN 259 372 SEQADV 1WJS GLY A 1 UNP Q96JM7 CLONING ARTIFACT SEQADV 1WJS SER A 2 UNP Q96JM7 CLONING ARTIFACT SEQADV 1WJS SER A 3 UNP Q96JM7 CLONING ARTIFACT SEQADV 1WJS GLY A 4 UNP Q96JM7 CLONING ARTIFACT SEQADV 1WJS SER A 5 UNP Q96JM7 CLONING ARTIFACT SEQADV 1WJS SER A 6 UNP Q96JM7 CLONING ARTIFACT SEQADV 1WJS GLY A 7 UNP Q96JM7 CLONING ARTIFACT SEQADV 1WJS SER A 122 UNP Q96JM7 CLONING ARTIFACT SEQADV 1WJS GLY A 123 UNP Q96JM7 CLONING ARTIFACT SEQADV 1WJS PRO A 124 UNP Q96JM7 CLONING ARTIFACT SEQADV 1WJS SER A 125 UNP Q96JM7 CLONING ARTIFACT SEQADV 1WJS SER A 126 UNP Q96JM7 CLONING ARTIFACT SEQADV 1WJS GLY A 127 UNP Q96JM7 CLONING ARTIFACT SEQRES 1 A 127 GLY SER SER GLY SER SER GLY PRO TYR ASN LYS ASN GLY SEQRES 2 A 127 PHE LYS VAL GLY MET LYS LEU GLU GLY VAL ASP PRO GLU SEQRES 3 A 127 HIS GLN SER VAL TYR CYS VAL LEU THR VAL ALA GLU VAL SEQRES 4 A 127 CYS GLY TYR ARG ILE LYS LEU HIS PHE ASP GLY TYR SER SEQRES 5 A 127 ASP CYS TYR ASP PHE TRP VAL ASN ALA ASP ALA LEU ASP SEQRES 6 A 127 ILE HIS PRO VAL GLY TRP CYS GLU LYS THR GLY HIS LYS SEQRES 7 A 127 LEU HIS PRO PRO LYS GLY TYR LYS GLU GLU GLU PHE ASN SEQRES 8 A 127 TRP GLN THR TYR LEU LYS THR CYS LYS ALA GLN ALA ALA SEQRES 9 A 127 PRO LYS SER LEU PHE GLU ASN GLN ASN ILE THR VAL ILE SEQRES 10 A 127 PRO SER GLY PHE SER GLY PRO SER SER GLY HELIX 1 1 SER A 52 ASP A 56 5 5 HELIX 2 2 TRP A 71 GLY A 76 1 6 HELIX 3 3 ASN A 91 CYS A 99 1 9 HELIX 4 4 PRO A 105 GLU A 110 5 6 SHEET 1 A 4 LYS A 19 ASP A 24 0 SHEET 2 A 4 HIS A 27 CYS A 40 -1 O LEU A 34 N LEU A 20 SHEET 3 A 4 ARG A 43 PHE A 48 -1 O LYS A 45 N GLU A 38 SHEET 4 A 4 PHE A 57 ASN A 60 -1 O PHE A 57 N LEU A 46 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