Header list of 1fkz.pdb file
Complete list - 23 20 Bytes
HEADER DNA 09-OCT-96 1FKZ
TITLE NMR STUDY OF B-DNA CONTAINING A MISMATCHED BASE PAIR IN THE 29-39 K-
TITLE 2 RAS GENE SEQUENCE: CC CT C+C C+T, 2 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*CP*AP*CP*CP*AP*GP*CP*TP*C)-3');
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MOL_ID: 2;
COMPND 6 MOLECULE: DNA (5'-D(*GP*AP*GP*CP*TP*CP*GP*TP*GP*GP*C)-3');
COMPND 7 CHAIN: B;
COMPND 8 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 MOL_ID: 2;
SOURCE 4 SYNTHETIC: YES
KEYWDS DEOXYRIBONUCLEIC ACID, B-DNA, K-RAS, DNA
EXPDTA SOLUTION NMR
NUMMDL 2
AUTHOR Y.BOULARD,J.A.H.COGNET,G.V.FAZAKERLEY
REVDAT 4 23-FEB-22 1FKZ 1 REMARK
REVDAT 3 24-FEB-09 1FKZ 1 VERSN
REVDAT 2 01-APR-03 1FKZ 1 JRNL
REVDAT 1 12-MAR-97 1FKZ 0
JRNL AUTH Y.BOULARD,J.A.COGNET,G.V.FAZAKERLEY
JRNL TITL SOLUTION STRUCTURE AS A FUNCTION OF PH OF TWO CENTRAL
JRNL TITL 2 MISMATCHES, C . T AND C . C, IN THE 29 TO 39 K-RAS GENE
JRNL TITL 3 SEQUENCE, BY NUCLEAR MAGNETIC RESONANCE AND MOLECULAR
JRNL TITL 4 DYNAMICS.
JRNL REF J.MOL.BIOL. V. 268 331 1997
JRNL REFN ISSN 0022-2836
JRNL PMID 9159474
JRNL DOI 10.1006/JMBI.1997.0975
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH Y.BOULARD,J.A.COGNET,J.GABARRO-ARPA,M.LE BRET,C.CARBONNAUX,
REMARK 1 AUTH 2 G.V.FAZAKERLEY
REMARK 1 TITL SOLUTION STRUCTURE OF AN ONCOGENIC DNA DUPLEX, THE K-RAS
REMARK 1 TITL 2 GENE AND THE SEQUENCE CONTAINING A CENTRAL C.A OR A.G
REMARK 1 TITL 3 MISMATCH AS A FUNCTION OF PH: NUCLEAR MAGNETIC RESONANCE AND
REMARK 1 TITL 4 MOLECULAR DYNAMICS STUDIES
REMARK 1 REF J.MOL.BIOL. V. 246 194 1995
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 2
REMARK 1 AUTH J.A.COGNET,Y.BOULARD,G.V.FAZAKERLEY
REMARK 1 TITL HELICAL PARAMETERS, FLUCTUATIONS, ALTERNATIVE HYDROGEN
REMARK 1 TITL 2 BONDING, AND BENDING IN OLIGONUCLEOTIDES CONTAINING A
REMARK 1 TITL 3 MISMATCHED BASE-PAIR BY NOESY DISTANCE RESTRAINED AND
REMARK 1 TITL 4 DISTANCE FREE MOLECULAR DYNAMICS
REMARK 1 REF J.MOL.BIOL. V. 246 209 1995
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 3
REMARK 1 AUTH V.GERVAIS,J.A.COGNET,M.LE BRET,L.C.SOWERS,G.V.FAZAKERLEY
REMARK 1 TITL SOLUTION STRUCTURE OF TWO MISMATCHES A.A AND T.T IN THE
REMARK 1 TITL 2 K-RAS GENE CONTEXT BY NUCLEAR MAGNETIC RESONANCE AND
REMARK 1 TITL 3 MOLECULAR DYNAMICS
REMARK 1 REF EUR.J.BIOCHEM. V. 228 279 1995
REMARK 1 REFN ISSN 0014-2956
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : AMBER
REMARK 3 AUTHORS : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM,
REMARK 3 FERGUSON,SEIBEL,CH
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: MORCAD BY LEBRET ALSO WAS USED.
REMARK 4
REMARK 4 1FKZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000173327.
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 : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 2
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
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 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 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES
REMARK 500 1 DC A 2 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES
REMARK 500 1 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES
REMARK 500 1 DC A 5 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES
REMARK 500 1 DC A 6 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 1 DA A 7 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 1 DG A 8 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES
REMARK 500 1 DC A 11 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES
REMARK 500 1 DA B 13 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES
REMARK 500 1 DG B 14 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 1 DC B 15 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES
REMARK 500 1 DT B 16 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES
REMARK 500 1 DC B 17 O4' - C1' - N1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 1 DG B 18 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES
REMARK 500 1 DT B 19 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES
REMARK 500 1 DG B 21 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES
REMARK 500 1 DC B 22 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES
REMARK 500 2 DG A 1 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES
REMARK 500 2 DC A 2 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES
REMARK 500 2 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES
REMARK 500 2 DA A 4 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 2 DC A 5 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES
REMARK 500 2 DC A 6 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 2 DA A 7 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES
REMARK 500 2 DG A 8 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES
REMARK 500 2 DC A 9 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES
REMARK 500 2 DC A 11 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES
REMARK 500 2 DG B 12 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES
REMARK 500 2 DA B 13 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES
REMARK 500 2 DG B 14 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 DC B 15 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES
REMARK 500 2 DT B 16 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES
REMARK 500 2 DC B 17 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 DT B 19 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES
REMARK 500 2 DG B 20 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES
REMARK 500 2 DG B 21 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 2 DC B 22 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 1 DA A 4 0.05 SIDE CHAIN
REMARK 500 1 DC B 22 0.06 SIDE CHAIN
REMARK 500 2 DC A 11 0.06 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1FKY RELATED DB: PDB
REMARK 900 ENSEMBLE OF 2 STRUCTURES
DBREF 1FKZ A 1 11 PDB 1FKZ 1FKZ 1 11
DBREF 1FKZ B 12 22 PDB 1FKZ 1FKZ 12 22
SEQRES 1 A 11 DG DC DC DA DC DC DA DG DC DT DC
SEQRES 1 B 11 DG DA DG DC DT DC DG DT DG DG DC
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