Header list of 1jvc.pdb file
Complete list - 23 20 Bytes
HEADER DNA 29-AUG-01 1JVC
TITLE DIMERIC DNA QUADRUPLEX CONTAINING MAJOR GROOVE-ALIGNED A.T.A.T AND
TITLE 2 G.C.G.C TETRADS STABILIZED BY INTER-SUBUNIT WATSON-CRICK A:T AND G:C
TITLE 3 PAIRS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-D(*GP*AP*GP*CP*AP*GP*GP*T)-3';
COMPND 3 CHAIN: A, B;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS ATAT AND GCGC TETRADS, DIMERIC DNA QUADRUPLEX, HYDROGEN BOND
KEYWDS 2 ALIGNMENTS, INTER-SUBUNIT WATSON-CRICK PAIRS, DNA
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR N.ZHANG,A.GORIN,A.MAJUMDAR,A.KETTANI,N.CHERNICHENKO,E.SKRIPKIN,
AUTHOR 2 D.J.PATEL
REVDAT 4 23-FEB-22 1JVC 1 REMARK
REVDAT 3 24-FEB-09 1JVC 1 VERSN
REVDAT 2 01-APR-03 1JVC 1 JRNL
REVDAT 1 24-OCT-01 1JVC 0
JRNL AUTH N.ZHANG,A.GORIN,A.MAJUMDAR,A.KETTANI,N.CHERNICHENKO,
JRNL AUTH 2 E.SKRIPKIN,D.J.PATEL
JRNL TITL DIMERIC DNA QUADRUPLEX CONTAINING MAJOR GROOVE-ALIGNED
JRNL TITL 2 A-T-A-T AND G-C-G-C TETRADS STABILIZED BY INTER-SUBUNIT
JRNL TITL 3 WATSON-CRICK A-T AND G-C PAIRS.
JRNL REF J.MOL.BIOL. V. 312 1073 2001
JRNL REFN ISSN 0022-2836
JRNL PMID 11580251
JRNL DOI 10.1006/JMBI.2001.5002
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.81
REMARK 3 AUTHORS : A. BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: DESCRIBED IN THE PRIMARY CITATION
REMARK 4
REMARK 4 1JVC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-SEP-01.
REMARK 100 THE DEPOSITION ID IS D_1000014225.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 273
REMARK 210 PH : 6.6
REMARK 210 IONIC STRENGTH : 1M NACL, 2MM PHOSPHATE
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1M NACL, 2MM PHOSPHATE
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, COSY, TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : MOLECULAR DYNAMICS WITH
REMARK 210 SIMULATED ANNEALING METHOD IN
REMARK 210 TORSIONAL SPACE
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 60
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : BACK CALCULATED DATA AGREE WITH
REMARK 210 EXPERIMENTAL NOESY SPECTRUM
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: COVALENT BOND LENGTHS
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
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 RES CSSEQI ATM2 DEVIATION
REMARK 500 9 DG A 1 C8 DG A 1 N9 -0.044
REMARK 500 9 DG B 1 C8 DG B 1 N9 -0.043
REMARK 500 10 DG A 1 C8 DG A 1 N9 -0.047
REMARK 500 10 DG B 1 C8 DG B 1 N9 -0.047
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 DG A 1 C4' - C3' - C2' ANGL. DEV. = -6.2 DEGREES
REMARK 500 1 DG A 1 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 1 DA A 2 O4' - C4' - C3' ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 DA A 2 C1' - O4' - C4' ANGL. DEV. = -6.3 DEGREES
REMARK 500 1 DA A 2 O4' - C1' - N9 ANGL. DEV. = -9.0 DEGREES
REMARK 500 1 DG A 3 O4' - C4' - C3' ANGL. DEV. = -3.4 DEGREES
REMARK 500 1 DG A 3 C1' - O4' - C4' ANGL. DEV. = -7.3 DEGREES
REMARK 500 1 DC A 4 O4' - C4' - C3' ANGL. DEV. = -6.3 DEGREES
REMARK 500 1 DC A 4 C5' - C4' - O4' ANGL. DEV. = 8.2 DEGREES
REMARK 500 1 DC A 4 C4' - C3' - O3' ANGL. DEV. = 12.1 DEGREES
REMARK 500 1 DC A 4 O4' - C1' - C2' ANGL. DEV. = -5.1 DEGREES
REMARK 500 1 DC A 4 O4' - C1' - N1 ANGL. DEV. = 6.6 DEGREES
REMARK 500 1 DC A 4 N1 - C2 - O2 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 DA A 5 C1' - O4' - C4' ANGL. DEV. = -7.2 DEGREES
REMARK 500 1 DA A 5 O4' - C1' - N9 ANGL. DEV. = 11.1 DEGREES
REMARK 500 1 DG A 6 O4' - C1' - C2' ANGL. DEV. = -12.2 DEGREES
REMARK 500 1 DG A 6 C5 - C6 - O6 ANGL. DEV. = -4.0 DEGREES
REMARK 500 1 DG A 7 C4' - C3' - C2' ANGL. DEV. = -4.3 DEGREES
REMARK 500 1 DG A 7 O4' - C1' - C2' ANGL. DEV. = -12.5 DEGREES
REMARK 500 1 DG A 7 O4' - C1' - N9 ANGL. DEV. = 7.6 DEGREES
REMARK 500 1 DT A 8 C6 - C5 - C7 ANGL. DEV. = -5.4 DEGREES
REMARK 500 1 DG B 1 C4' - C3' - C2' ANGL. DEV. = -6.3 DEGREES
REMARK 500 1 DG B 1 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 1 DA B 2 O4' - C4' - C3' ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 DA B 2 C1' - O4' - C4' ANGL. DEV. = -6.3 DEGREES
REMARK 500 1 DA B 2 O4' - C1' - N9 ANGL. DEV. = -9.0 DEGREES
REMARK 500 1 DG B 3 O4' - C4' - C3' ANGL. DEV. = -3.3 DEGREES
REMARK 500 1 DG B 3 C1' - O4' - C4' ANGL. DEV. = -7.3 DEGREES
REMARK 500 1 DC B 4 O4' - C4' - C3' ANGL. DEV. = -6.3 DEGREES
REMARK 500 1 DC B 4 C5' - C4' - O4' ANGL. DEV. = 8.1 DEGREES
REMARK 500 1 DC B 4 C4' - C3' - O3' ANGL. DEV. = 12.1 DEGREES
REMARK 500 1 DC B 4 O4' - C1' - C2' ANGL. DEV. = -5.1 DEGREES
REMARK 500 1 DC B 4 O4' - C1' - N1 ANGL. DEV. = 6.6 DEGREES
REMARK 500 1 DC B 4 N1 - C2 - O2 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 DA B 5 C1' - O4' - C4' ANGL. DEV. = -7.1 DEGREES
REMARK 500 1 DA B 5 O4' - C1' - N9 ANGL. DEV. = 11.1 DEGREES
REMARK 500 1 DG B 6 O4' - C1' - C2' ANGL. DEV. = -12.1 DEGREES
REMARK 500 1 DG B 6 C5 - C6 - O6 ANGL. DEV. = -4.0 DEGREES
REMARK 500 1 DG B 7 C4' - C3' - C2' ANGL. DEV. = -4.3 DEGREES
REMARK 500 1 DG B 7 O4' - C1' - C2' ANGL. DEV. = -12.5 DEGREES
REMARK 500 1 DG B 7 O4' - C1' - N9 ANGL. DEV. = 7.6 DEGREES
REMARK 500 1 DT B 8 C6 - C5 - C7 ANGL. DEV. = -5.4 DEGREES
REMARK 500 2 DG A 1 C4' - C3' - C2' ANGL. DEV. = -6.1 DEGREES
REMARK 500 2 DA A 2 O4' - C4' - C3' ANGL. DEV. = -2.8 DEGREES
REMARK 500 2 DA A 2 C1' - O4' - C4' ANGL. DEV. = -6.1 DEGREES
REMARK 500 2 DA A 2 O4' - C1' - N9 ANGL. DEV. = -8.9 DEGREES
REMARK 500 2 DG A 3 O4' - C4' - C3' ANGL. DEV. = -3.1 DEGREES
REMARK 500 2 DG A 3 C1' - O4' - C4' ANGL. DEV. = -7.2 DEGREES
REMARK 500 2 DC A 4 O4' - C4' - C3' ANGL. DEV. = -5.9 DEGREES
REMARK 500 2 DC A 4 C5' - C4' - O4' ANGL. DEV. = 7.7 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 485 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1JVC A 1 8 PDB 1JVC 1JVC 1 8
DBREF 1JVC B 1 8 PDB 1JVC 1JVC 1 8
SEQRES 1 A 8 DG DA DG DC DA DG DG DT
SEQRES 1 B 8 DG DA DG DC DA DG DG DT
CRYST1 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 - 23 20 Bytes