Header list of 1on5.pdb file
Complete list - 23 202 Bytes
HEADER DNA 27-FEB-03 1ON5
TITLE SOLUTION STRUCTURE OF A CHOLIC ACID-CAPPED DNA DUPLEX
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: STEROID-DNA HYBRID;
COMPND 3 CHAIN: A, B;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: SYNTHESIS OF THE DNA FRAGMENT BY THE AUTHORS.
KEYWDS DNA, STEROID, SYNTHETIC HYBRID
EXPDTA SOLUTION NMR
AUTHOR J.TUMA,C.RICHERT
REVDAT 3 23-FEB-22 1ON5 1 REMARK LINK
REVDAT 2 24-FEB-09 1ON5 1 VERSN
REVDAT 1 05-AUG-03 1ON5 0
JRNL AUTH J.TUMA,C.RICHERT
JRNL TITL SOLUTION STRUCTURE OF A STEROID-DNA COMPLEX WITH CHOLIC ACID
JRNL TITL 2 RESIDUES SEALING THE TERMINI OF A WATSON-CRICK DUPLEX
JRNL REF BIOCHEMISTRY V. 42 8957 2003
JRNL REFN ISSN 0006-2960
JRNL PMID 12885228
JRNL DOI 10.1021/BI030056G
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 1ON5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-MAR-03.
REMARK 100 THE DEPOSITION ID IS D_1000018462.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 286; 286
REMARK 210 PH : 7; 7
REMARK 210 IONIC STRENGTH : 165MM PHOSPHATE BUFFER
REMARK 210 (KH2PO4/K2HPO4), NACL AT PH 7
REMARK 210 (UNCORRECTED FOR DEUTERIUM
REMARK 210 EFFECT); 165MM PHOSPHATE 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; ANALYTE
REMARK 210 BUFFER, SALT
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY, TOCSY, HMQC,
REMARK 210 HMBC
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 : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CHD A 1
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CHD B 1
DBREF 1ON5 A 2 7 PDB 1ON5 1ON5 2 7
DBREF 1ON5 B 2 7 PDB 1ON5 1ON5 2 7
SEQRES 1 A 6 5AT DG DC DG DC DA
SEQRES 1 B 6 5AT DG DC DG DC DA
MODRES 1ON5 5AT A 2 DT 5'-AMINO-5'-DEOXYTHYMIDINE
MODRES 1ON5 5AT B 2 DT 5'-AMINO-5'-DEOXYTHYMIDINE
HET 5AT A 2 30
HET 5AT B 2 30
HET CHD A 1 67
HET CHD B 1 67
HETNAM 5AT 5'-AMINO-5'-DEOXYTHYMIDINE
HETNAM CHD CHOLIC ACID
FORMUL 1 5AT 2(C10 H15 N3 O4)
FORMUL 3 CHD 2(C24 H40 O5)
LINK C24 CHD A 1 N5' 5AT A 2 1555 1555 1.46
LINK O3' 5AT A 2 P DG A 3 1555 1555 1.61
LINK C24 CHD B 1 N5' 5AT B 2 1555 1555 1.46
LINK O3' 5AT B 2 P DG B 3 1555 1555 1.61
SITE 1 AC1 2 5AT A 2 DA B 7
SITE 1 AC2 2 DA A 7 5AT B 2
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 - 23 202 Bytes