Header list of 1tqr.pdb file
Complete list - 2 20 Bytes
HEADER DNA 18-JUN-04 1TQR TITLE NMR STRUCTURE OF DNA 17-MER GGAAAATCTCTAGCAGT CORRESPONDING TO THE TITLE 2 EXTREMITY OF THE U5 LTR OF THE HIV-1 GENOME COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA HIV-1 U5 LTR EXTREMITY; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA HIV-1 U5 LTR EXTREMITY; COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: CLASSICAL PHOSPHORAMIDITE CHEMISTRY; SOURCE 4 MOL_ID: 2; SOURCE 5 SYNTHETIC: YES; SOURCE 6 OTHER_DETAILS: CLASSICAL PHOSPHORAMIDITE CHEMISTRY KEYWDS DOUBLE HELIX, DNA EXPDTA SOLUTION NMR NUMMDL 9 AUTHOR J.G.RENISIO,S.COSQUER,I.CHERRAK,S.EL ANTRI,O.MAUFFRET,S.FERMANDJIAN REVDAT 3 02-MAR-22 1TQR 1 REMARK REVDAT 2 24-FEB-09 1TQR 1 VERSN REVDAT 1 19-APR-05 1TQR 0 JRNL AUTH J.G.RENISIO,S.COSQUER,I.CHERRAK,S.EL ANTRI,O.MAUFFRET, JRNL AUTH 2 S.FERMANDJIAN JRNL TITL PRE-ORGANIZED STRUCTURE OF VIRAL DNA AT THE JRNL TITL 2 BINDING-PROCESSING SITE OF HIV-1 INTEGRASE JRNL REF NUCLEIC ACIDS RES. V. 33 1970 2005 JRNL REFN ISSN 0305-1048 JRNL PMID 15814814 JRNL DOI 10.1093/NAR/GKI346 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 0.9A REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE REMARK 3 -KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE, REMARK 3 SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: IN THE FIRST STAGE THE CLASSICAL REMARK 3 CONSTRAINTS WERE USED WITH TAD AT HIGH TEMPERATURE, IN A SECOND REMARK 3 STAGE THE RDC WERE GRADUALLY ADDED WITH TAD AT LOW TEMPERATURE REMARK 3 (200K) REMARK 4 REMARK 4 1TQR COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 22-JUN-04. REMARK 100 THE DEPOSITION ID IS D_1000022848. 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 : PHOSPHTE BUFFER PH6.7; PLUS REMARK 210 PHAGE PF1 12MG/ML REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D_NOESY; 2D_TOCSY; DQF-COSY; REMARK 210 2D_HSQC_1H-13C REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS INCLUDING REMARK 210 CLASSICAL AND RDC CONSTRAINTS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 9 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 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 N1 DA A 12 H3 DT B 23 1.59 REMARK 500 REMARK 500 REMARK: NULL DBREF 1TQR A 1 17 PDB 1TQR 1TQR 1 17 DBREF 1TQR B 18 34 PDB 1TQR 1TQR 18 34 SEQRES 1 A 17 DG DG DA DA DA DA DT DC DT DC DT DA DG SEQRES 2 A 17 DC DA DG DT SEQRES 1 B 17 DA DC DT DG DC DT DA DG DA DG DA DT DT SEQRES 2 B 17 DT DT DC DC 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 20 Bytes