Header list of 1r4d.pdb file
Complete list - 2 20 Bytes
HEADER DNA 06-OCT-03 1R4D
TITLE SOLUTION STRUCTURE OF THE CHIMERIC L/D DNA OLIGONUCLEOTIDE
TITLE 2 D(C8METGCGC(L)G(L)CGCG)2
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-D(*CP*(8MG)P*CP*GP*(0DC)P*(0DG)P*CP*GP*CP*G)-3';
COMPND 3 CHAIN: A, B;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: CHIMERIC AND MODIFIED L/D STRAND 5'-D(C8METGCGC(L)
COMPND 6 G(L)CGCG)
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS DNA POLYMORPHISM, L ENANTIOMERY, ANTISENSE, HYBRID ZBZ DNA, DNA
EXPDTA SOLUTION NMR
NUMMDL 11
MDLTYP MINIMIZED AVERAGE
AUTHOR I.CHERRAK,O.MAUFFRET,F.SANTAMARIA,B.RAYNER,A.HOCQUET,M.GHOMI,
AUTHOR 2 S.FERMANDJIAN
REVDAT 6 02-MAR-22 1R4D 1 REMARK LINK
REVDAT 5 19-MAY-10 1R4D 1 HET
REVDAT 4 04-AUG-09 1R4D 1 HETATM
REVDAT 3 24-FEB-09 1R4D 1 VERSN
REVDAT 2 30-MAR-04 1R4D 1 JRNL
REVDAT 1 21-OCT-03 1R4D 0
JRNL AUTH I.CHERRAK,O.MAUFFRET,F.SANTAMARIA,A.HOCQUET,M.GHOMI,
JRNL AUTH 2 B.RAYNER,S.FERMANDJIAN
JRNL TITL L-NUCLEOTIDES AND 8-METHYLGUANINE OF
JRNL TITL 2 D(C1M8G2C3G4C5LG6LC7G8C9G10)2 ACT COOPERATIVELY TO PROMOTE A
JRNL TITL 3 LEFT-HANDED HELIX UNDER PHYSIOLOGICAL SALT CONDITIONS.
JRNL REF NUCLEIC ACIDS RES. V. 31 6986 2003
JRNL REFN ISSN 0305-1048
JRNL PMID 14627831
JRNL DOI 10.1093/NAR/GKG893
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 0.9A
REMARK 3 AUTHORS : BRUNGER ET AL.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1R4D COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-OCT-03.
REMARK 100 THE DEPOSITION ID IS D_1000020421.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 7
REMARK 210 IONIC STRENGTH : 0.1
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : 1.5 MM FOR DUPLEX DNA
REMARK 210 CONCENTRATION
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D COSY; 2D NOESY; 2D TOCSY; 2D
REMARK 210 HETCOR 1H-31P; 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 : CNS
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS FOLLOWED
REMARK 210 BY CARTESIAN DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 11
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY
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 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1FV7 RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF THE CHIMERIC DNA D/L D(METCGMETCGC(L)G(L)
REMARK 900 METCGMETCG)2
DBREF 1R4D A 1 10 PDB 1R4D 1R4D 1 10
DBREF 1R4D B 11 20 PDB 1R4D 1R4D 11 20
SEQRES 1 A 10 DC 8MG DC DG 0DC 0DG DC DG DC DG
SEQRES 1 B 10 DC 8MG DC DG 0DC 0DG DC DG DC DG
MODRES 1R4D 8MG A 2 DG
MODRES 1R4D 8MG B 12 DG
HET 8MG A 2 36
HET 0DC A 5 30
HET 0DG A 6 33
HET 8MG B 12 36
HET 0DC B 15 30
HET 0DG B 16 33
HETNAM 8MG 8-METHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
HETNAM 0DC 2'-DEOXY-L-RIBO-FURANOSYL CYTOSINE-5'-MONOPHOSPHATE
HETNAM 0DG 2'-DEOXY-L-RIBO-FURANOSYL GUANINE-5'-MONOPHOSPHATE
FORMUL 1 8MG 2(C11 H16 N5 O7 P)
FORMUL 1 0DC 2(C9 H14 N3 O7 P)
FORMUL 1 0DG 2(C10 H14 N5 O7 P)
LINK O3' DC A 1 P 8MG A 2 1555 1555 1.61
LINK O3' 8MG A 2 P DC A 3 1555 1555 1.61
LINK O3' DG A 4 P 0DC A 5 1555 1555 1.61
LINK O3' 0DC A 5 P 0DG A 6 1555 1555 1.61
LINK O3' 0DG A 6 P DC A 7 1555 1555 1.61
LINK O3' DC B 11 P 8MG B 12 1555 1555 1.61
LINK O3' 8MG B 12 P DC B 13 1555 1555 1.61
LINK O3' DG B 14 P 0DC B 15 1555 1555 1.61
LINK O3' 0DC B 15 P 0DG B 16 1555 1555 1.61
LINK O3' 0DG B 16 P DC B 17 1555 1555 1.61
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