Header list of 2cru.pdb file
Complete list - r 9 2 Bytes
HEADER APOPTOSIS 20-MAY-05 2CRU TITLE SOLUTION STRUCTURE OF PROGRAMMED CELL DEATH 5 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROGRAMMED CELL DEATH PROTEIN 5; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: DSDNA_BIND; COMPND 5 SYNONYM: TFAR19 PROTEIN, TF-1 CELL APOPTOSIS RELATED GENE-19 PROTEIN; 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: PDCD5, TFAR19; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P041101-22; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS THREE HELIX BUNDLE, APOPTOSIS, DNA BINDING, STRUCTURAL GENOMICS, KEYWDS 2 NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL KEYWDS 3 ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR T.NAGASHIMA,K.IZUMI,F.HAYASHI,M.YOSHIDA,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 09-MAR-22 2CRU 1 REMARK SEQADV REVDAT 2 24-FEB-09 2CRU 1 VERSN REVDAT 1 20-NOV-05 2CRU 0 JRNL AUTH T.NAGASHIMA,K.IZUMI,F.HAYASHI,M.YOSHIDA,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF PROGRAMMED CELL DEATH 5 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 2.0.17 REMARK 3 AUTHORS : VARIAN (VNMR), GUNTERT, P. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2CRU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 30-MAY-05. REMARK 100 THE DEPOSITION ID IS D_1000024552. 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 : 120MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.28MM DSDNA_BIND U-13C,15N; REMARK 210 20MM TRISHCL, 100MM NACL, 1MM REMARK 210 DTT, 0.02% 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 : 800 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 20020425, 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 : TARGET FUNCTION,STRUCTURES WITH REMARK 210 THE LOWEST ENERGY 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 ARG A 9 40.02 -102.48 REMARK 500 1 ARG A 10 136.64 -36.74 REMARK 500 1 GLN A 11 75.47 -112.69 REMARK 500 1 GLU A 15 155.22 -48.44 REMARK 500 1 ASP A 22 139.98 -174.99 REMARK 500 1 LEU A 55 -71.22 -55.32 REMARK 500 1 THR A 102 152.48 -43.37 REMARK 500 1 GLU A 103 146.61 -170.30 REMARK 500 1 THR A 105 87.80 -61.25 REMARK 500 1 ARG A 112 -62.58 -106.79 REMARK 500 2 PRO A 23 2.82 -69.79 REMARK 500 2 ALA A 26 -30.55 -36.41 REMARK 500 2 LYS A 32 -26.54 -39.04 REMARK 500 2 ALA A 59 -31.65 -36.17 REMARK 500 2 LEU A 82 92.15 -53.21 REMARK 500 2 LYS A 85 137.67 -39.31 REMARK 500 2 VAL A 108 46.33 -80.19 REMARK 500 2 LYS A 109 102.74 -53.45 REMARK 500 2 PHE A 110 115.57 -169.58 REMARK 500 3 PRO A 23 2.29 -69.74 REMARK 500 3 ILE A 92 -35.84 -36.69 REMARK 500 3 LYS A 97 -50.71 -123.80 REMARK 500 3 SER A 99 -68.13 -93.02 REMARK 500 3 THR A 106 114.77 -164.41 REMARK 500 3 ASN A 111 -64.58 -101.49 REMARK 500 3 PRO A 115 2.54 -69.76 REMARK 500 4 ASP A 22 157.22 -38.74 REMARK 500 4 SER A 50 -71.23 -62.03 REMARK 500 4 LEU A 60 -69.62 -97.92 REMARK 500 4 LYS A 62 105.00 -169.28 REMARK 500 4 ILE A 92 -37.78 -35.43 REMARK 500 4 THR A 105 40.79 39.72 REMARK 500 5 PRO A 23 1.50 -69.77 REMARK 500 5 GLU A 35 -34.87 -37.28 REMARK 500 5 LEU A 60 -63.69 -93.94 REMARK 500 5 LYS A 62 104.97 -171.91 REMARK 500 5 LEU A 82 104.51 -49.01 REMARK 500 5 LYS A 85 121.65 -39.43 REMARK 500 5 ILE A 92 -37.49 -37.48 REMARK 500 5 LYS A 104 -65.96 -102.14 REMARK 500 5 VAL A 108 149.23 -172.06 REMARK 500 5 SER A 113 154.99 -46.63 REMARK 500 6 SER A 2 112.25 -169.80 REMARK 500 6 ALA A 31 -70.13 -50.65 REMARK 500 6 LEU A 60 -65.21 -103.05 REMARK 500 6 LYS A 62 104.97 -170.68 REMARK 500 6 GLU A 70 -39.06 -34.80 REMARK 500 6 SER A 113 46.43 34.55 REMARK 500 7 ALA A 14 171.25 -49.09 REMARK 500 7 LEU A 60 -68.61 -106.53 REMARK 500 REMARK 500 THIS ENTRY HAS 155 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSI002011821.1 RELATED DB: TARGETDB DBREF 2CRU A 8 112 UNP O14737 PDCD5_HUMAN 8 112 SEQADV 2CRU GLY A 1 UNP O14737 CLONING ARTIFACT SEQADV 2CRU SER A 2 UNP O14737 CLONING ARTIFACT SEQADV 2CRU SER A 3 UNP O14737 CLONING ARTIFACT SEQADV 2CRU GLY A 4 UNP O14737 CLONING ARTIFACT SEQADV 2CRU SER A 5 UNP O14737 CLONING ARTIFACT SEQADV 2CRU SER A 6 UNP O14737 CLONING ARTIFACT SEQADV 2CRU GLY A 7 UNP O14737 CLONING ARTIFACT SEQADV 2CRU SER A 113 UNP O14737 CLONING ARTIFACT SEQADV 2CRU GLY A 114 UNP O14737 CLONING ARTIFACT SEQADV 2CRU PRO A 115 UNP O14737 CLONING ARTIFACT SEQADV 2CRU SER A 116 UNP O14737 CLONING ARTIFACT SEQADV 2CRU SER A 117 UNP O14737 CLONING ARTIFACT SEQADV 2CRU GLY A 118 UNP O14737 CLONING ARTIFACT SEQRES 1 A 118 GLY SER SER GLY SER SER GLY LEU ARG ARG GLN ARG LEU SEQRES 2 A 118 ALA GLU LEU GLN ALA LYS HIS GLY ASP PRO GLY ASP ALA SEQRES 3 A 118 ALA GLN GLN GLU ALA LYS HIS ARG GLU ALA GLU MET ARG SEQRES 4 A 118 ASN SER ILE LEU ALA GLN VAL LEU ASP GLN SER ALA ARG SEQRES 5 A 118 ALA ARG LEU SER ASN LEU ALA LEU VAL LYS PRO GLU LYS SEQRES 6 A 118 THR LYS ALA VAL GLU ASN TYR LEU ILE GLN MET ALA ARG SEQRES 7 A 118 TYR GLY GLN LEU SER GLU LYS VAL SER GLU GLN GLY LEU SEQRES 8 A 118 ILE GLU ILE LEU LYS LYS VAL SER GLN GLN THR GLU LYS SEQRES 9 A 118 THR THR THR VAL LYS PHE ASN ARG SER GLY PRO SER SER SEQRES 10 A 118 GLY HELIX 1 1 GLY A 24 LEU A 47 1 24 HELIX 2 2 ASP A 48 LYS A 62 1 15 HELIX 3 3 LYS A 62 GLY A 80 1 19 HELIX 4 4 SER A 87 SER A 99 1 13 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 9 2 Bytes