Header list of 1zyh.pdb file
Complete list - 2 20 Bytes
HEADER DNA 10-JUN-05 1ZYH
TITLE STRUCTURE OF A SUPERCOILING RESPONSIVE DNA SITE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-D(*CP*AP*AP*CP*CP*AP*GP*GP*GP*TP*TP*G)-3';
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MOL_ID: 2;
COMPND 6 MOLECULE: 5'-D(*CP*AP*AP*CP*CP*CP*TP*GP*GP*TP*TP*G)-3';
COMPND 7 CHAIN: B;
COMPND 8 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: SOLID-SUPPORT PHOSPHORAMIDITE CHEMISTRY;
SOURCE 4 MOL_ID: 2;
SOURCE 5 SYNTHETIC: YES;
SOURCE 6 OTHER_DETAILS: SOLID-SUPPORT PHOSPHORAMIDITE CHEMISTRY
KEYWDS DNA, SUPERCOILING, FLEXIBILITY, HIX, HIN, RECOMBINASE
EXPDTA SOLUTION NMR
NUMMDL 13
MDLTYP MINIMIZED AVERAGE
AUTHOR S.H.BAE,S.H.YUN,D.SUN,H.M.LIM,B.S.CHOI
REVDAT 3 02-MAR-22 1ZYH 1 REMARK
REVDAT 2 24-FEB-09 1ZYH 1 VERSN
REVDAT 1 23-MAY-06 1ZYH 0
JRNL AUTH S.H.BAE,S.H.YUN,D.SUN,H.M.LIM,B.S.CHOI
JRNL TITL STRUCTURAL AND DYNAMIC BASIS OF A SUPERCOILING-RESPONSIVE
JRNL TITL 2 DNA ELEMENT
JRNL REF NUCLEIC ACIDS RES. V. 34 254 2006
JRNL REFN ISSN 0305-1048
JRNL PMID 16414956
JRNL DOI 10.1093/NAR/GKJ428
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 3.1C, X-PLOR XPLOR-NIH
REMARK 3 AUTHORS : VARIAN INC. (VNMR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1ZYH COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 14-JUN-05.
REMARK 100 THE DEPOSITION ID IS D_1000033268.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 295
REMARK 210 PH : 6.8
REMARK 210 IONIC STRENGTH : 10MM SODIUM PHOSPHATE, 100MM
REMARK 210 NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 10MM SODIUM PHOSPHATE (PH 6.8),
REMARK 210 100MM NACL; 10MM SODIUM
REMARK 210 PHOSPHATE (PH 6.8), 100MM NACL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; 2D COSY; 2D
REMARK 210 1H-31P COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA; DRX
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 1995, MARDIGRAS 3.2, X
REMARK 210 -PLOR XPLOR-NIH
REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION
REMARK 210 ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 13
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY, STRUCTURES
REMARK 210 WITH FAVORABLE NON-BOND ENERGY,
REMARK 210 STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS, STRUCTURES
REMARK 210 WITH THE 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 H2' DG B 21 H73 DT B 22 1.12
REMARK 500 H2'' DA B 14 H8 DA B 15 1.13
REMARK 500 H4' DA B 14 OP1 DA B 15 1.19
REMARK 500 H2'' DA A 2 H8 DA A 3 1.27
REMARK 500 H2'' DG A 8 H8 DG A 9 1.31
REMARK 500 H2'' DA B 15 O5' DC B 16 1.47
REMARK 500 O2 DC A 5 H21 DG B 20 1.53
REMARK 500 H2'' DA B 14 C8 DA B 15 1.59
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 1 DC A 1 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DA A 2 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500 1 DA A 3 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500 1 DC A 4 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DC A 5 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DA A 6 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DG A 7 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DG A 8 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DG A 9 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DT A 10 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DT A 11 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DG A 12 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DC B 13 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES
REMARK 500 1 DA B 14 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DA B 15 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DC B 16 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES
REMARK 500 1 DC B 17 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DC B 18 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DT B 19 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DG B 20 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DG B 21 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DT B 22 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DT B 23 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DG B 24 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DC A 1 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DA A 2 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500 2 DA A 3 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DC A 4 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DC A 5 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES
REMARK 500 2 DA A 6 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500 2 DG A 7 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500 2 DG A 8 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DG A 9 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DT A 10 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DT A 11 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DG A 12 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DC B 13 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DA B 14 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DA B 15 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DC B 16 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES
REMARK 500 2 DC B 17 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DC B 18 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES
REMARK 500 2 DT B 19 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES
REMARK 500 2 DG B 20 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DG B 21 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DT B 22 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES
REMARK 500 2 DT B 23 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DG B 24 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500 3 DC A 1 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 3 DA A 2 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 312 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1ZYF RELATED DB: PDB
REMARK 900 HIX-AT
REMARK 900 RELATED ID: 1ZYG RELATED DB: PDB
REMARK 900 HIX-CG
DBREF 1ZYH A 1 12 PDB 1ZYH 1ZYH 1 12
DBREF 1ZYH B 13 24 PDB 1ZYH 1ZYH 13 24
SEQRES 1 A 12 DC DA DA DC DC DA DG DG DG DT DT DG
SEQRES 1 B 12 DC DA DA DC DC DC DT DG DG DT DT DG
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