Header list of 1wh1.pdb file
Complete list - 2 20 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-MAY-04 1WH1 TITLE SOLUTION STRUCTURE OF THE FOURTH PDZ DOMAIN OF KIAA1095 PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: KIAA1095 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PDZ 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 HK06736; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P021030-39; SOURCE 8 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS KEYWDS PDZ DOMAIN, KIAA1095, STRUCTURAL GENOMICS, RIKEN STRUCTURAL KEYWDS 2 GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION EXPDTA SOLUTION NMR AUTHOR X.QIN,K.SAITO,T.KIGAWA,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1WH1 1 REMARK SEQADV REVDAT 2 24-FEB-09 1WH1 1 VERSN REVDAT 1 28-NOV-04 1WH1 0 JRNL AUTH X.QIN,K.SAITO,T.KIGAWA,F.HAYASHI,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF THE FOURTH PDZ DOMAIN OF KIAA1095 JRNL TITL 2 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 1.0.7 REMARK 3 AUTHORS : BRUKER (XWINNMR), GUENTERT, P. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1WH1 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 07-JUN-04. REMARK 100 THE DEPOSITION ID IS D_1000023571. 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 : 1.10MM 13C, 15N-LABELED REMARK 210 PROTEIN;20MM PINA(PH6.0); 100MM REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3 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 20020425, NMRVIEW 5.0.4, REMARK 210 KUJIRA 0.854, CYANA 1.0.7 REMARK 210 METHOD USED : TORSION ANGLE DYNAMIC REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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: 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 GLU A 85 H ALA A 89 1.45 REMARK 500 O ASN A 29 H ASP A 32 1.49 REMARK 500 O SER A 59 H LYS A 63 1.52 REMARK 500 H ASN A 77 O SER A 100 1.53 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 HIS A 10 131.77 62.23 REMARK 500 GLN A 11 78.86 -174.19 REMARK 500 GLU A 17 -32.85 179.97 REMARK 500 ARG A 41 -45.96 -140.04 REMARK 500 THR A 42 -117.82 56.99 REMARK 500 ASP A 47 127.18 -179.66 REMARK 500 ILE A 48 -114.07 -59.84 REMARK 500 ASN A 58 75.45 -119.25 REMARK 500 ASP A 64 -74.64 -116.25 REMARK 500 ILE A 67 152.25 -36.61 REMARK 500 GLN A 82 17.90 -146.96 REMARK 500 GLU A 94 46.96 -85.38 REMARK 500 GLU A 95 -45.13 -151.94 REMARK 500 LEU A 108 -71.69 68.14 REMARK 500 GLN A 109 153.16 61.85 REMARK 500 GLU A 112 73.96 -152.56 REMARK 500 TRP A 114 66.13 60.52 REMARK 500 ASP A 116 94.67 -61.10 REMARK 500 ASP A 117 139.64 -179.21 REMARK 500 ASP A 118 94.99 -59.39 REMARK 500 SER A 119 132.35 -173.44 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSK002001069.2 RELATED DB: TARGETDB DBREF 1WH1 A 8 118 UNP Q9UPQ7 PZRN3_HUMAN 437 547 SEQADV 1WH1 GLY A 1 UNP Q9UPQ7 CLONING ARTIFACT SEQADV 1WH1 SER A 2 UNP Q9UPQ7 CLONING ARTIFACT SEQADV 1WH1 SER A 3 UNP Q9UPQ7 CLONING ARTIFACT SEQADV 1WH1 GLY A 4 UNP Q9UPQ7 CLONING ARTIFACT SEQADV 1WH1 SER A 5 UNP Q9UPQ7 CLONING ARTIFACT SEQADV 1WH1 SER A 6 UNP Q9UPQ7 CLONING ARTIFACT SEQADV 1WH1 GLY A 7 UNP Q9UPQ7 CLONING ARTIFACT SEQADV 1WH1 SER A 119 UNP Q9UPQ7 CLONING ARTIFACT SEQADV 1WH1 GLY A 120 UNP Q9UPQ7 CLONING ARTIFACT SEQADV 1WH1 PRO A 121 UNP Q9UPQ7 CLONING ARTIFACT SEQADV 1WH1 SER A 122 UNP Q9UPQ7 CLONING ARTIFACT SEQADV 1WH1 SER A 123 UNP Q9UPQ7 CLONING ARTIFACT SEQADV 1WH1 GLY A 124 UNP Q9UPQ7 CLONING ARTIFACT SEQRES 1 A 124 GLY SER SER GLY SER SER GLY ASP ILE HIS GLN GLU MET SEQRES 2 A 124 ASP ARG GLU GLU LEU GLU LEU GLU GLU VAL ASP LEU TYR SEQRES 3 A 124 ARG MET ASN SER GLN ASP LYS LEU GLY LEU THR VAL CYS SEQRES 4 A 124 TYR ARG THR ASP ASP GLU ASP ASP ILE GLY ILE TYR ILE SEQRES 5 A 124 SER GLU ILE ASP PRO ASN SER ILE ALA ALA LYS ASP GLY SEQRES 6 A 124 ARG ILE ARG GLU GLY ASP ARG ILE ILE GLN ILE ASN GLY SEQRES 7 A 124 ILE GLU VAL GLN ASN ARG GLU GLU ALA VAL ALA LEU LEU SEQRES 8 A 124 THR SER GLU GLU ASN LYS ASN PHE SER LEU LEU ILE ALA SEQRES 9 A 124 ARG PRO GLU LEU GLN LEU ASP GLU GLY TRP MET ASP ASP SEQRES 10 A 124 ASP SER GLY PRO SER SER GLY HELIX 1 1 SER A 59 ASP A 64 1 6 HELIX 2 2 ASN A 83 THR A 92 1 10 SHEET 1 A 5 GLU A 19 LEU A 20 0 SHEET 2 A 5 LEU A 101 ARG A 105 -1 O ARG A 105 N GLU A 19 SHEET 3 A 5 ARG A 72 ILE A 76 -1 N GLN A 75 O LEU A 102 SHEET 4 A 5 ILE A 50 ILE A 55 -1 N ILE A 50 O ILE A 73 SHEET 5 A 5 LEU A 36 CYS A 39 -1 N THR A 37 O GLU A 54 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
Complete list - 2 20 Bytes