Header list of 1oq2.pdb file
Complete list - b 23 2 Bytes
HEADER DNA 07-MAR-03 1OQ2
TITLE NMR STRUCTURE OF HEMIMETHYLATED GATC SITE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-D(*GP*CP*GP*AP*GP*AP*TP*CP*TP*GP*CP*G)-3';
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MOL_ID: 2;
COMPND 6 MOLECULE: 5'-D(*CP*GP*CP*AP*GP*(6MA)P*TP*CP*TP*CP*GP*C)-3';
COMPND 7 CHAIN: B;
COMPND 8 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: CHEMICAL SYNTHESIS;
SOURCE 4 MOL_ID: 2;
SOURCE 5 SYNTHETIC: YES;
SOURCE 6 OTHER_DETAILS: CHEMICAL SYNTHESIS
KEYWDS GATC, AGATCT, HEMIMETHYLATION, SEQA, MUTH, N6-METHYL, DAM (DNA
KEYWDS 2 ADENINE METHYLTRANSFERASE), DNA
EXPDTA SOLUTION NMR
NUMMDL 17
MDLTYP MINIMIZED AVERAGE
AUTHOR S.-H.BAE,H.-K.CHEONG,S.KANG,D.S.HWANG,C.CHEONG,B.-S.CHOI
REVDAT 4 23-FEB-22 1OQ2 1 REMARK LINK
REVDAT 3 07-APR-10 1OQ2 1 HET HETATM
REVDAT 2 24-FEB-09 1OQ2 1 VERSN
REVDAT 1 27-APR-04 1OQ2 0
JRNL AUTH S.-H.BAE,H.-K.CHEONG,C.CHEONG,S.KANG,D.S.HWANG,B.-S.CHOI
JRNL TITL STRUCTURE AND DYNAMICS OF HEMIMETHYLATED GATC SITES:
JRNL TITL 2 IMPLICATIONS FOR DNA-SEQA RECOGNITION
JRNL REF J.BIOL.CHEM. V. 278 45987 2003
JRNL REFN ISSN 0021-9258
JRNL PMID 12944412
JRNL DOI 10.1074/JBC.M306038200
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NULL
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1OQ2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 14-MAR-03.
REMARK 100 THE DEPOSITION ID IS D_1000018550.
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 : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 17
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY,STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 VIOLATIONS,STRUCTURES WITH THE
REMARK 210 LOWEST 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
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1OPQ RELATED DB: PDB
REMARK 900 NMR STRUCTURE OF UNMETHYLATED GATC SITE
REMARK 900 RELATED ID: 1UAB RELATED DB: PDB
REMARK 900 NMR STRUCTURE OF HEMIMETHYLATED GATC SITE, N6-METHYL IN
REMARK 900 TRANS(RESPECT TO N1) CONFIGURATION
DBREF 1OQ2 A 1 12 PDB 1OQ2 1OQ2 1 12
DBREF 1OQ2 B 13 24 PDB 1OQ2 1OQ2 13 24
SEQRES 1 A 12 DG DC DG DA DG DA DT DC DT DG DC DG
SEQRES 1 B 12 DC DG DC DA DG 6MA DT DC DT DC DG DC
MODRES 1OQ2 6MA B 18 A
HET 6MA B 18 35
HETNAM 6MA N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
FORMUL 2 6MA C11 H16 N5 O6 P
LINK O3' DG B 17 P 6MA B 18 1555 1555 1.61
LINK O3' 6MA B 18 P DT B 19 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 - b 23 2 Bytes