Header list of 204d.pdb file
Complete list - r 9 2 Bytes
HEADER DNA 06-APR-95 204D TITLE THE SOLUTION STRUCTURES OF PSORALEN MONOADDUCTED AND CROSSLINKED DNA TITLE 2 OLIGOMERS BY NMR SPECTROSCOPY AND RESTRAINED MOLECULAR DYNAMICS COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*GP*TP*AP*CP*GP*C)-3'); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: INTERSTRAND CROSSLINKED DNA OLIGONUCLEOTIDE SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS DNA EXPDTA SOLUTION NMR NUMMDL 40 AUTHOR H.P.SPIELMANN,T.J.DWYER,J.E.HEARST,D.E.WEMMER REVDAT 3 09-MAR-22 204D 1 REMARK REVDAT 2 24-FEB-09 204D 1 VERSN REVDAT 1 15-SEP-95 204D 0 JRNL AUTH H.P.SPIELMANN,T.J.DWYER,J.E.HEARST,D.E.WEMMER JRNL TITL SOLUTION STRUCTURES OF PSORALEN MONOADDUCTED AND JRNL TITL 2 CROSS-LINKED DNA OLIGOMERS BY NMR SPECTROSCOPY AND JRNL TITL 3 RESTRAINED MOLECULAR DYNAMICS. JRNL REF BIOCHEMISTRY V. 34 12937 1995 JRNL REFN ISSN 0006-2960 JRNL PMID 7548052 JRNL DOI 10.1021/BI00040A004 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH H.P.SPIELMANN,T.J.DWYER,S.S.SASTRY,J.E.HEARST,D.E.WEMMER REMARK 1 TITL DNA STRUCTURAL REORGANIZATION UPON CONVERSION OF A PSORALEN REMARK 1 TITL 2 FURANSIDE MONOADDUCT TO AN INTERSTRAND CROSS-LINK: REMARK 1 TITL 3 IMPLICATIONS FOR DNA REPAIR REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 92 2345 1995 REMARK 1 REFN ISSN 0027-8424 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 204D COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000177555. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 40 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: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PSO B 1 DBREF 204D A 1 8 PDB 204D 204D 1 8 DBREF 204D B 9 16 PDB 204D 204D 9 16 SEQRES 1 A 8 DG DC DG DT DA DC DG DC SEQRES 1 B 8 DG DC DG DT DA DC DG DC HET PSO B 1 33 HETNAM PSO 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN FORMUL 3 PSO C15 H14 O4 SITE 1 AC1 4 DT A 4 DA A 5 DT B 12 DA B 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