Header list of 1jve.pdb file
Complete list - 23 20 Bytes
HEADER DNA 29-AUG-01 1JVE
TITLE NMR STRUCTURE OF AN AT-RICH DNA WITH THE GAA-HAIRPIN LOOP
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: AT-RICH DNA WITH THE GAA-HAIRPIN LOOP;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: DESIGNED AT-RICH SEQUENCE
KEYWDS DEOXYRIBONUCLEIC ACID, DNA OLIGONUCLEOTIDE, STEM-AND-LOOP, AT-RICH,
KEYWDS 2 GAA HAIRPIN LOOP, PRIBNOW BOX, DNA
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR N.B.ULYANOV,W.R.BAUER,T.L.JAMES
REVDAT 3 23-FEB-22 1JVE 1 REMARK
REVDAT 2 24-FEB-09 1JVE 1 VERSN
REVDAT 1 22-MAY-02 1JVE 0
JRNL AUTH N.B.ULYANOV,W.R.BAUER,T.L.JAMES
JRNL TITL HIGH-RESOLUTION NMR STRUCTURE OF AN AT-RICH DNA SEQUENCE.
JRNL REF J.BIOMOL.NMR V. 22 265 2002
JRNL REFN ISSN 0925-2738
JRNL PMID 11991355
JRNL DOI 10.1023/A:1014987532546
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1, DYANA 1.5, MINICARLO ALPHA VERSION
REMARK 3 AUTHORS : VARIAN ASSOCIATES, INC. (VNMR), GUNTERT, P.
REMARK 3 (DYANA), ULYANOV, N.B., GORLER, A., GORIN, A.A.,
REMARK 3 ZHURKIN, V.B. (MINICARLO)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 THE NMR REFINEMENT WAS BASED ON A TOTAL OF 434 INTERPROTON DISTANCE
REMARK 3 RESTRAINTS (16.1 PER RESIDUE).
REMARK 3 THE RESTRAINTS INCLUDE 353 MARDIGRAS-DERIVED
REMARK 3 QUANTITATIVE RESTRAINTS FOR NONEXCHANGEABLE
REMARK 3 PROTONS (WITH AN AVERAGE FLAT-WELL
REMARK 3 WIDTH OF 1.51 ANGSTROMS), 63
REMARK 3 QUALITATIVE RESTRAINTS FOR EXCHANGEABLE
REMARK 3 PROTONS, AND 18 H-BOND RESTRAINTS
REMARK 3 FOR WATSON-CRICK GC PAIRS.
REMARK 4
REMARK 4 1JVE 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_1000014227.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 283
REMARK 210 PH : 8.0
REMARK 210 IONIC STRENGTH : 30 MM K+
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2MM DNA; PHOSPHATE BUFFER: 30 MM
REMARK 210 K+; 1MM EDTA
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D-NOESY; DQF-COSY; TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 1.8, SPARKY 3.1,
REMARK 210 MARDIGRAS 3.2
REMARK 210 METHOD USED : FULL MATRIX RELAXATION ANALYSIS
REMARK 210 OF NOE, RANDOM ERROR ANALYSIS OF
REMARK 210 NOE, SIMULATED ANNEALING USING
REMARK 210 TORSION ANGLE DYNAMICS,
REMARK 210 SIMULATED ANNEALING USING
REMARK 210 METROPOLIS MONTE CARLO,
REMARK 210 RESTRAINED MINIMIZATION
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST TARGET FUNCTION (A
REMARK 210 WEIGHTED SUM OF CONFORMATIONAL
REMARK 210 ENERGY AND RESTRAINT ENERGY).
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR TECHNIQUES.
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: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
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
DBREF 1JVE A 1 27 PDB 1JVE 1JVE 1 27
SEQRES 1 A 27 DC DC DT DA DA DT DT DA DT DA DA DC DG
SEQRES 2 A 27 DA DA DG DT DT DA DT DA DA DT DT DA DG
SEQRES 3 A 27 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 - 23 20 Bytes