Header list of 1x6w.pdb file
Complete list - 2 202 Bytes
HEADER DNA 12-AUG-04 1X6W TITLE SOLUTION STRUCTURE OF THE DNA DUPLEX TGCGCA:TGCGCA CAPPED BY TITLE 2 TRIMETHOXYSTILBENE RESIDUES COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*(TMS)P*TP*GP*CP*GP*CP*A)-3'; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS DNA, TRIMETHOXYSTILBENE, SYNTHETIC HYBRID EXPDTA SOLUTION NMR NUMMDL 2 MDLTYP MINIMIZED AVERAGE AUTHOR J.TUMA,R.PAULINI,J.STTZ,C.RICHERT REVDAT 3 02-MAR-22 1X6W 1 REMARK LINK REVDAT 2 24-FEB-09 1X6W 1 VERSN REVDAT 1 05-OCT-04 1X6W 0 JRNL AUTH J.TUMA,R.PAULINI,J.A.ROJAS STUTZ,C.RICHERT JRNL TITL HOW MUCH PI-STACKING DO DNA TERMINI SEEK? SOLUTION STRUCTURE JRNL TITL 2 OF A SELF-COMPLEMENTARY DNA HEXAMER WITH TRIMETHOXYSTILBENES JRNL TITL 3 CAPPING THE TERMINAL BASE PAIRS. JRNL REF BIOCHEMISTRY V. 43 15680 2004 JRNL REFN ISSN 0006-2960 JRNL PMID 15595824 JRNL DOI 10.1021/BI048205Y REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0, CNS 1.0 REMARK 3 AUTHORS : BRUNGER (CNS), BRUNGER (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1X6W COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-AUG-04. REMARK 100 THE DEPOSITION ID IS D_1000030014. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288; 288 REMARK 210 PH : 7; 7 REMARK 210 IONIC STRENGTH : 165 MM PHOSPHAT BUFFER REMARK 210 (KH2PO4/K2HPO4), NACL AT PH 7 REMARK 210 (UNCORRECTED FOR DEUTERIUM REMARK 210 EFFECT); 165 MM PHOSPHAT BUFFER REMARK 210 (KH2PO4/K2HPO4), NACL AT PH 7 REMARK 210 (UNCORRECTED FOR DEUTERIUM REMARK 210 EFFECT) REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : ANALYTE BUFFER, SALT, D2O; REMARK 210 ANALYTE BUFFER, SALT, H2O/D2O REMARK 210 (85:15) REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY, TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 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 : TORSION-ANGLE MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 2 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 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: 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 DBREF 1X6W A 1 7 PDB 1X6W 1X6W 1 7 DBREF 1X6W B 1 7 PDB 1X6W 1X6W 1 7 SEQRES 1 A 7 TMS DT DG DC DG DC DA SEQRES 1 B 7 TMS DT DG DC DG DC DA HET TMS A 1 51 HET TMS B 1 51 HETNAM TMS N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-PHENYL)-VINYL]- HETNAM 2 TMS BENZAMIDE FORMUL 1 TMS 2(C21 H25 N O5) LINK O2 TMS A 1 P DT A 2 1555 1555 1.49 LINK O2 TMS B 1 P DT B 2 1555 1555 1.49 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 - 2 202 Bytes