Header list of 1wj6.pdb file
Complete list - r 2 2 Bytes
HEADER PROTEIN BINDING 29-MAY-04 1WJ6 TITLE SOLUTION STRUCTURE OF RSGI RUH-024, A PB1 DOMAIN IN HUMAN CDNA, TITLE 2 KIAA0049 COMPND MOL_ID: 1; COMPND 2 MOLECULE: KIAA0049 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PB1 DOMAIN; COMPND 5 SYNONYM: RSGI RUH-024; COMPND 6 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: KIAA0049; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040114-25; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS PB1 DOMAIN, PROTEIN BINDING, STRUCTURAL GENOMICS, RIKEN STRUCTURAL KEYWDS 2 GENOMICS/PROTEOMICS INITIATIVE, RSGI EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR T.HAMADA,H.HIROTA,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1WJ6 1 REMARK SEQADV REVDAT 2 24-FEB-09 1WJ6 1 VERSN REVDAT 1 29-NOV-04 1WJ6 0 JRNL AUTH T.HAMADA,H.HIROTA,F.HAYASHI,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF RSGI RUH-024, A PB1 DOMAIN IN HUMAN JRNL TITL 2 CDNA, KIAA0049 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : VNMR 6.1C, CYANA 1.0.8 REMARK 3 AUTHORS : VARIAN (VNMR), GUENTERT, P. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1WJ6 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 08-JUN-04. REMARK 100 THE DEPOSITION ID IS D_1000023636. 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 : 100MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.15MM PB1 DOMAIN U-15N,13C; REMARK 210 20MM TRIS-HCL BUFFER (PH 7.0); REMARK 210 100MM NACL; 1MM D-DTT; 0.02% REMARK 210 NAN3; 90% H2O, 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; 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 21_2, NMRVIEW 5.0.4, REMARK 210 KUJIRA 0.8995, CYANA 1.0.8 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: THIS STRUCTURE WAS DETERMINED USING 3D NMR TECHNIQUES 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O MET A 44 H SER A 48 1.58 REMARK 500 H THR A 16 O ASN A 86 1.59 REMARK 500 REMARK 500 REMARK: NULL 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 -79.21 -48.17 REMARK 500 1 SER A 6 131.34 76.69 REMARK 500 1 HIS A 9 -67.98 68.38 REMARK 500 1 SER A 10 149.74 -178.45 REMARK 500 1 GLU A 12 165.76 76.05 REMARK 500 1 GLN A 14 101.45 -35.11 REMARK 500 1 LYS A 22 -93.31 64.02 REMARK 500 1 LYS A 46 -70.26 -59.31 REMARK 500 1 ASP A 50 82.14 53.84 REMARK 500 1 ILE A 56 152.17 -38.59 REMARK 500 1 ASP A 60 -155.21 -82.95 REMARK 500 1 ASN A 86 33.83 71.53 REMARK 500 1 SER A 96 126.66 -178.92 REMARK 500 1 SER A 100 155.70 63.82 REMARK 500 2 SER A 2 -58.49 -171.46 REMARK 500 2 SER A 5 159.29 -48.08 REMARK 500 2 SER A 6 133.18 66.87 REMARK 500 2 SER A 10 -58.04 -161.92 REMARK 500 2 MET A 11 154.69 -38.37 REMARK 500 2 GLN A 14 101.05 50.22 REMARK 500 2 LYS A 22 -92.45 67.83 REMARK 500 2 THR A 36 171.34 -55.63 REMARK 500 2 LYS A 46 -70.38 -47.31 REMARK 500 2 ASP A 50 80.36 41.79 REMARK 500 2 ILE A 56 150.95 -45.17 REMARK 500 2 ASP A 60 -155.18 -77.05 REMARK 500 2 GLU A 94 141.35 -39.96 REMARK 500 2 SER A 96 88.75 39.72 REMARK 500 2 SER A 99 111.64 -174.21 REMARK 500 3 SER A 5 170.38 -56.31 REMARK 500 3 GLN A 14 100.75 49.34 REMARK 500 3 LYS A 22 -92.61 62.35 REMARK 500 3 LYS A 46 -70.46 -51.41 REMARK 500 3 ASP A 50 54.82 82.10 REMARK 500 3 ILE A 56 152.98 -39.31 REMARK 500 3 ASP A 60 -155.67 -81.68 REMARK 500 3 SER A 96 77.66 47.56 REMARK 500 4 SER A 2 -54.49 179.69 REMARK 500 4 SER A 3 94.04 61.11 REMARK 500 4 SER A 5 112.90 -178.33 REMARK 500 4 MET A 11 111.68 63.74 REMARK 500 4 GLN A 14 100.41 -36.58 REMARK 500 4 LYS A 22 -92.47 64.76 REMARK 500 4 THR A 36 165.37 -47.28 REMARK 500 4 ILE A 41 -61.53 -95.39 REMARK 500 4 ILE A 56 154.92 -39.25 REMARK 500 4 ASP A 60 -155.93 -78.76 REMARK 500 4 SER A 96 -178.08 -69.14 REMARK 500 4 SER A 99 -59.76 74.05 REMARK 500 4 SER A 100 158.89 177.91 REMARK 500 REMARK 500 THIS ENTRY HAS 204 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSK002000046.1 RELATED DB: TARGETDB DBREF 1WJ6 A 8 95 UNP Q14596 NBR1_HUMAN 1 88 SEQADV 1WJ6 GLY A 1 UNP Q14596 CLONING ARTIFACT SEQADV 1WJ6 SER A 2 UNP Q14596 CLONING ARTIFACT SEQADV 1WJ6 SER A 3 UNP Q14596 CLONING ARTIFACT SEQADV 1WJ6 GLY A 4 UNP Q14596 CLONING ARTIFACT SEQADV 1WJ6 SER A 5 UNP Q14596 CLONING ARTIFACT SEQADV 1WJ6 SER A 6 UNP Q14596 CLONING ARTIFACT SEQADV 1WJ6 GLY A 7 UNP Q14596 CLONING ARTIFACT SEQADV 1WJ6 SER A 96 UNP Q14596 CLONING ARTIFACT SEQADV 1WJ6 GLY A 97 UNP Q14596 CLONING ARTIFACT SEQADV 1WJ6 PRO A 98 UNP Q14596 CLONING ARTIFACT SEQADV 1WJ6 SER A 99 UNP Q14596 CLONING ARTIFACT SEQADV 1WJ6 SER A 100 UNP Q14596 CLONING ARTIFACT SEQADV 1WJ6 GLY A 101 UNP Q14596 CLONING ARTIFACT SEQRES 1 A 101 GLY SER SER GLY SER SER GLY PRO HIS SER MET GLU PRO SEQRES 2 A 101 GLN VAL THR LEU ASN VAL THR PHE LYS ASN GLU ILE GLN SEQRES 3 A 101 SER PHE LEU VAL SER ASP PRO GLU ASN THR THR TRP ALA SEQRES 4 A 101 ASP ILE GLU ALA MET VAL LYS VAL SER PHE ASP LEU ASN SEQRES 5 A 101 THR ILE GLN ILE LYS TYR LEU ASP GLU GLU ASN GLU GLU SEQRES 6 A 101 VAL SER ILE ASN SER GLN GLY GLU TYR GLU GLU ALA LEU SEQRES 7 A 101 LYS MET ALA VAL LYS GLN GLY ASN GLN LEU GLN MET GLN SEQRES 8 A 101 VAL HIS GLU GLY SER GLY PRO SER SER GLY HELIX 1 1 THR A 37 ASP A 50 1 14 HELIX 2 2 SER A 70 GLY A 85 1 16 SHEET 1 A 5 GLU A 24 VAL A 30 0 SHEET 2 A 5 VAL A 15 PHE A 21 -1 N PHE A 21 O GLU A 24 SHEET 3 A 5 GLN A 87 GLN A 91 1 O MET A 90 N ASN A 18 SHEET 4 A 5 LYS A 57 LEU A 59 -1 N LYS A 57 O GLN A 91 SHEET 5 A 5 GLU A 65 VAL A 66 -1 O VAL A 66 N TYR A 58 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