Header list of 1oz8.pdb file
Complete list - b 23 2 Bytes
HEADER DNA 08-APR-03 1OZ8
TITLE INTRAMOLECULAR HIGHER-ORDER PACKING OF PARALLEL QUADRUPLEXES
TITLE 2 COMPRISING A G:G:G:G TETRAD AND A G(:A):G(:A):G(:A):G HEPTAD OF GGA
TITLE 3 TRIPLET REPEAT DNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-D(*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*GP*AP
COMPND 3 *GP*GP*AP*GP*GP*A)-3';
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS INTRAMOLECULAR PACKING OF PARALLEL QUADRUPLEXES, DNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR A.MATSUGAMI,T.OKUIZUMI,S.UESUGI,M.KATAHIRA
REVDAT 3 23-FEB-22 1OZ8 1 REMARK
REVDAT 2 24-FEB-09 1OZ8 1 VERSN
REVDAT 1 08-APR-04 1OZ8 0
JRNL AUTH A.MATSUGAMI,T.OKUIZUMI,S.UESUGI,M.KATAHIRA
JRNL TITL INTRAMOLECULAR HIGHER ORDER PACKING OF PARALLEL QUADRUPLEXES
JRNL TITL 2 COMPRISING A G:G:G:G TETRAD AND A G(:A):G(:A):G(:A):G HEPTAD
JRNL TITL 3 OF GGA TRIPLET REPEAT DNA
JRNL REF J.BIOL.CHEM. V. 278 28147 2003
JRNL REFN ISSN 0021-9258
JRNL PMID 12748183
JRNL DOI 10.1074/JBC.M303694200
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH A.MATSUGAMI,K.OUHASHI,M.KANAGAWA,H.LIU,S.KANAGAWA,S.UESUGI,
REMARK 1 AUTH 2 M.KATAHIRA
REMARK 1 TITL AN INTRAMOLECULAR QUADRUPLEX OF (GGA)(4) TRIPLET REPEAT DNA
REMARK 1 TITL 2 WITH A G:G:G:G TETRAD AND A G(:A):G(:A):G(:A):G HEPTAD, AND
REMARK 1 TITL 3 ITS DIMERIC INTERACTION
REMARK 1 REF J.MOL.BIOL. V. 313 255 2001
REMARK 1 REFN ISSN 0022-2836
REMARK 1 PMID 11800555
REMARK 1 DOI 10.1006/JMBI.2001.5047
REMARK 1 REFERENCE 2
REMARK 1 AUTH H.LIU,A.MATSUGAMI,M.KATAHIRA,S.UESUGI
REMARK 1 TITL A DIMERIC RNA QUADRUPLEX ARCHITECTURE COMPRISED OF TWO
REMARK 1 TITL 2 G:G(:A):G:G(:A) HEXADS, G:G:G:G TETRADS AND UUUU LOOPS
REMARK 1 REF J.MOL.BIOL. V. 322 955 2002
REMARK 1 REFN ISSN 0022-2836
REMARK 1 PMID 12367521
REMARK 1 DOI 10.1016/S0022-2836(02)00876-8
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851, X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER (X-PLOR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1OZ8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 16-APR-03.
REMARK 100 THE DEPOSITION ID IS D_1000018828.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 275; 298
REMARK 210 PH : 6.5; 6.5
REMARK 210 IONIC STRENGTH : NULL; NULL
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM DNA; 10MM SODIUM PHOSPHATE
REMARK 210 BUFFER; 30MM KCL; 1MM DNA; 10MM
REMARK 210 SODIUM PHOSPHATE BUFFER; 30MM KCL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 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: 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
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 H4' DG A 11 O4' DA A 12 1.44
REMARK 500 H61 DA A 9 O4' DG A 16 1.50
REMARK 500 O4' DG A 10 H61 DA A 15 1.54
REMARK 500 H21 DG A 19 N7 DG A 22 1.56
REMARK 500 H21 DG A 17 N7 DG A 20 1.57
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 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES
REMARK 500 1 DG A 1 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 DG A 1 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 1 DG A 2 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES
REMARK 500 1 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 DG A 2 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 1 DA A 3 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 1 DG A 4 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 DG A 4 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 DG A 5 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES
REMARK 500 1 DG A 5 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 1 DA A 6 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 DA A 6 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 1 DG A 7 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 1 DG A 7 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 1 DG A 7 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 DG A 8 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 1 DG A 8 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 DA A 9 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES
REMARK 500 1 DA A 9 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 DG A 10 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES
REMARK 500 1 DG A 10 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 DG A 10 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 DG A 11 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 1 DG A 11 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 DA A 12 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 DG A 13 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DG A 13 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 DG A 13 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 DG A 14 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES
REMARK 500 1 DG A 14 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 DA A 15 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 1 DA A 15 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 DA A 15 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 1 DG A 16 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES
REMARK 500 1 DG A 16 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 DG A 16 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 DG A 17 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 DG A 17 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 DA A 18 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 1 DA A 18 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 DG A 19 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 1 DG A 19 N7 - C8 - N9 ANGL. DEV. = 4.3 DEGREES
REMARK 500 1 DG A 19 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 1 DG A 20 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 DG A 20 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 DA A 21 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 DG A 22 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES
REMARK 500 1 DG A 22 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 1126 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1OZ8 A 1 24 PDB 1OZ8 1OZ8 1 24
SEQRES 1 A 24 DG DG DA DG DG DA DG DG DA DG DG DA DG
SEQRES 2 A 24 DG DA DG DG DA DG DG DA DG DG DA
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