Header list of 1k3k.pdb file
Complete list - 27 20 Bytes
HEADER APOPTOSIS 03-OCT-01 1K3K TITLE SOLUTION STRUCTURE OF A BCL-2 HOMOLOG FROM KAPOSI'S SARCOMA VIRUS COMPND MOL_ID: 1; COMPND 2 MOLECULE: FUNCTIONAL ANTI-APOPTOTIC FACTOR VBCL-2 HOMOLOG; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 8; SOURCE 3 ORGANISM_TAXID: 37296; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS BCL-2, HERPESVIRUS, SOLUTION STRUCTURE, APOPTOSIS EXPDTA SOLUTION NMR AUTHOR Q.HUANG,A.M.PETROS,H.W.VIRGIN,S.W.FESIK,E.T.OLEJNICZAK REVDAT 4 27-OCT-21 1K3K 1 REMARK SEQADV REVDAT 3 24-FEB-09 1K3K 1 VERSN REVDAT 2 01-APR-03 1K3K 1 JRNL REVDAT 1 10-APR-02 1K3K 0 JRNL AUTH Q.HUANG,A.M.PETROS,H.W.VIRGIN,S.W.FESIK,E.T.OLEJNICZAK JRNL TITL SOLUTION STRUCTURE OF A BCL-2 HOMOLOG FROM KAPOSI SARCOMA JRNL TITL 2 VIRUS. JRNL REF PROC.NATL.ACAD.SCI.USA V. 99 3428 2002 JRNL REFN ISSN 0027-8424 JRNL PMID 11904405 JRNL DOI 10.1073/PNAS.062525799 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNX, CNX REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE REMARK 3 -KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON, REMARK 3 WARREN,ACCELRYS SOFTWARE INC.(BADGER,BERARD,KUMAR,SZALMA,YIP, REMARK 3 DZAKULA) (CNX), BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE, REMARK 3 JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN,ACCELRYS REMARK 3 SOFTWARE INC.(BADGER,BERARD,KUMAR,SZALMA,YIP,DZAKULA) (CNX) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1K3K COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-OCT-01. REMARK 100 THE DEPOSITION ID IS D_1000014516. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.8 REMARK 210 IONIC STRENGTH : 20 MM REMARK 210 PRESSURE : ATMOSPHERIC ATM REMARK 210 SAMPLE CONTENTS : 0.5-1.0 MM PROTEIN, 20 MM2 H REMARK 210 -TRIS, 5 MM2 H-DITHIOTHREITOL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HNCA; HN(CO)CA; HN(CA)CB; REMARK 210 HN(COCA)CB; HNCO; HN(CA)CO; 13C- REMARK 210 NOESY; 15N-NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : AVERAGE, MINIMIZED 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 ASP A 147 REMARK 465 ASP A 148 REMARK 465 ASP A 149 REMARK 465 ASP A 150 REMARK 465 LEU A 151 REMARK 465 GLU A 152 REMARK 465 HIS A 153 REMARK 465 HIS A 154 REMARK 465 HIS A 155 REMARK 465 HIS A 156 REMARK 465 HIS A 157 REMARK 465 HIS A 158 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 ASP A 2 32.73 -163.87 REMARK 500 GLU A 3 90.91 -56.18 REMARK 500 LEU A 6 56.67 -178.75 REMARK 500 PRO A 31 -157.39 -59.45 REMARK 500 LEU A 33 -91.55 -49.33 REMARK 500 SER A 34 41.72 -151.86 REMARK 500 VAL A 58 150.65 167.71 REMARK 500 SER A 62 -166.77 44.52 REMARK 500 SER A 77 40.01 -96.20 REMARK 500 ASP A 79 88.21 -176.38 REMARK 500 MET A 82 93.75 49.10 REMARK 500 ARG A 86 -72.11 -64.41 REMARK 500 VAL A 114 -51.14 -132.16 REMARK 500 ALA A 130 -62.03 -92.07 REMARK 500 TRP A 134 -67.89 69.27 REMARK 500 REMARK 500 REMARK: NULL DBREF 1K3K A 1 146 UNP P90504 P90504_HHV8 1 146 SEQADV 1K3K ASP A 67 UNP P90504 ASN 67 ENGINEERED MUTATION SEQADV 1K3K ALA A 117 UNP P90504 VAL 117 ENGINEERED MUTATION SEQADV 1K3K ASP A 147 UNP P90504 EXPRESSION TAG SEQADV 1K3K ASP A 148 UNP P90504 EXPRESSION TAG SEQADV 1K3K ASP A 149 UNP P90504 EXPRESSION TAG SEQADV 1K3K ASP A 150 UNP P90504 EXPRESSION TAG SEQADV 1K3K LEU A 151 UNP P90504 EXPRESSION TAG SEQADV 1K3K GLU A 152 UNP P90504 EXPRESSION TAG SEQADV 1K3K HIS A 153 UNP P90504 EXPRESSION TAG SEQADV 1K3K HIS A 154 UNP P90504 EXPRESSION TAG SEQADV 1K3K HIS A 155 UNP P90504 EXPRESSION TAG SEQADV 1K3K HIS A 156 UNP P90504 EXPRESSION TAG SEQADV 1K3K HIS A 157 UNP P90504 EXPRESSION TAG SEQADV 1K3K HIS A 158 UNP P90504 EXPRESSION TAG SEQRES 1 A 158 MET ASP GLU ASP VAL LEU PRO GLY GLU VAL LEU ALA ILE SEQRES 2 A 158 GLU GLY ILE PHE MET ALA CYS GLY LEU ASN GLU PRO GLU SEQRES 3 A 158 TYR LEU TYR HIS PRO LEU LEU SER PRO ILE LYS LEU TYR SEQRES 4 A 158 ILE THR GLY LEU MET ARG ASP LYS GLU SER LEU PHE GLU SEQRES 5 A 158 ALA MET LEU ALA ASN VAL ARG PHE HIS SER THR THR GLY SEQRES 6 A 158 ILE ASP GLN LEU GLY LEU SER MET LEU GLN VAL SER GLY SEQRES 7 A 158 ASP GLY ASN MET ASN TRP GLY ARG ALA LEU ALA ILE LEU SEQRES 8 A 158 THR PHE GLY SER PHE VAL ALA GLN LYS LEU SER ASN GLU SEQRES 9 A 158 PRO HIS LEU ARG ASP PHE ALA LEU ALA VAL LEU PRO ALA SEQRES 10 A 158 TYR ALA TYR GLU ALA ILE GLY PRO GLN TRP PHE ARG ALA SEQRES 11 A 158 ARG GLY GLY TRP ARG GLY LEU LYS ALA TYR CYS THR GLN SEQRES 12 A 158 VAL LEU THR ASP ASP ASP ASP LEU GLU HIS HIS HIS HIS SEQRES 13 A 158 HIS HIS HELIX 1 1 VAL A 10 ALA A 19 1 10 HELIX 2 2 SER A 34 LEU A 55 1 22 HELIX 3 3 HIS A 61 LEU A 71 1 11 HELIX 4 4 LEU A 71 SER A 77 1 7 HELIX 5 5 ASN A 83 LEU A 101 1 19 HELIX 6 6 PRO A 105 VAL A 114 1 10 HELIX 7 7 VAL A 114 GLY A 124 1 11 HELIX 8 8 GLY A 124 ARG A 131 1 8 HELIX 9 9 TRP A 134 VAL A 144 1 11 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 - 27 20 Bytes