Header list of 1c95.pdb file
Complete list - 16 202 Bytes
HEADER DNA 31-JUL-99 1C95
TITLE SOLUTION STRUCTURE OF THE AMINOACYL-CAPPED OLIGODEOXYRIBONUCLEOTIDE
TITLE 2 DUPLEX TRP-D(TGCGCAC)2
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-D((5AT)TP*GP*CP*GP*CP*AP*C)-3';
COMPND 3 CHAIN: A, B;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS DOUBLE HELIX, AMINOACYL-CAPPED DNA, DNA
EXPDTA SOLUTION NMR
AUTHOR W.C.HO,C.STEINBECK,C.RICHERT
REVDAT 5 16-FEB-22 1C95 1 REMARK LINK
REVDAT 4 24-FEB-09 1C95 1 VERSN
REVDAT 3 01-APR-03 1C95 1 JRNL
REVDAT 2 01-JAN-00 1C95 1 HETNAM
REVDAT 1 08-OCT-99 1C95 0
JRNL AUTH W.C.HO,C.STEINBECK,C.RICHERT
JRNL TITL SOLUTION STRUCTURE OF THE AMINOACYL-CAPPED
JRNL TITL 2 OLIGODEOXYRIBONUCLEOTIDE DUPLEX (W-TGCGCAC)(2).
JRNL REF BIOCHEMISTRY V. 38 12597 1999
JRNL REFN ISSN 0006-2960
JRNL PMID 10504228
JRNL DOI 10.1021/BI991169W
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : RNMR 1998, X-PLOR 3.1
REMARK 3 AUTHORS : RUBEN, D. ET AL. (MIT BITTER LABS) (RNMR),
REMARK 3 BRUENGER, A., ET AL. YALE UNIVERSITY (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: SEE TABLE 5 IN PAPER
REMARK 4
REMARK 4 1C95 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-AUG-99.
REMARK 100 THE DEPOSITION ID IS D_1000009447.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 283; 283
REMARK 210 PH : 7; 7
REMARK 210 IONIC STRENGTH : 160 MM; 160 MM
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 4 MM TRP-TGCGCAC IN 150 MM NACL
REMARK 210 AND 10 MM PHOSPHATE BUFFER
REMARK 210 (KH2PO4/K2HPO4) AT PH 7.0
REMARK 210 (UNCORRECTED FOR DEUTERIUM
REMARK 210 EFFECT); 4 MM TRP-TGCGCAC IN 150
REMARK 210 MM NACL AND 10 MM PHOSPHATE
REMARK 210 BUFFER (KH2PO4/K2HPO4) AT PH 7.0
REMARK 210 (UNCORRECTED FOR DEUTERIUM
REMARK 210 EFFECT)
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY; TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 750 MHZ; 600 MHZ; 300
REMARK 210 MHZ
REMARK 210 SPECTROMETER MODEL : DRX; DPX
REMARK 210 SPECTROMETER MANUFACTURER : MIT-BUILT; BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 1998, GIFA 4.10, CNS 0.4
REMARK 210 METHOD USED : TORSION-ANGLE MOLECULAR DYNAMICS
REMARK 210 FOLLOWED BY CARTESIAN MOLECULAR
REMARK 210 DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: CONSTRAINTS WERE GENERATED USING STANDARD 2D HOMONUCLEAR
REMARK 210 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: 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 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TRP A 0
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TRP B 0
DBREF 1C95 A 1 7 PDB 1C95 1C95 1 7
DBREF 1C95 B 1 7 PDB 1C95 1C95 1 7
SEQRES 1 A 7 5AT DG DC DG DC DA DC
SEQRES 1 B 7 5AT DG DC DG DC DA DC
MODRES 1C95 5AT A 1 DT 5'-AMINO-5'-DEOXYTHYMIDINE
MODRES 1C95 5AT B 1 DT 5'-AMINO-5'-DEOXYTHYMIDINE
HET 5AT A 1 30
HET 5AT B 1 30
HET TRP A 0 26
HET TRP B 0 26
HETNAM 5AT 5'-AMINO-5'-DEOXYTHYMIDINE
HETNAM TRP TRYPTOPHAN
FORMUL 1 5AT 2(C10 H15 N3 O4)
FORMUL 3 TRP 2(C11 H12 N2 O2)
LINK C TRP A 0 N5' 5AT A 1 1555 1555 1.33
LINK O3' 5AT A 1 P DG A 2 1555 1555 1.61
LINK C TRP B 0 N5' 5AT B 1 1555 1555 1.33
LINK O3' 5AT B 1 P DG B 2 1555 1555 1.61
SITE 1 AC1 2 5AT A 1 DA B 6
SITE 1 AC2 2 DA A 6 5AT B 1
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 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
Complete list - 16 202 Bytes