Header list of 1bn9.pdb file
Complete list - 16 202 Bytes
HEADER DNA 31-JUL-98 1BN9
TITLE RESPONSE ELEMENT OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB BETA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA (5'-D(*TP*AP*GP*AP*AP*TP*GP*TP*AP*GP*GP*TP*CP*AP*G)-
COMPND 3 3');
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES;
COMPND 6 MOL_ID: 2;
COMPND 7 MOLECULE: DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*CP*AP*TP*TP*CP*TP*A)-
COMPND 8 3');
COMPND 9 CHAIN: B;
COMPND 10 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 MOL_ID: 2;
SOURCE 4 SYNTHETIC: YES
KEYWDS DNA, RESPONSE ELEMENT, ORPHAN NUCLEAR RECEPTOR
EXPDTA SOLUTION NMR
AUTHOR C.CASTAGNE,H.TERENZI,M.M.ZAKIN,M.DELEPIERRE
REVDAT 6 16-FEB-22 1BN9 1 REMARK
REVDAT 5 24-FEB-09 1BN9 1 VERSN
REVDAT 4 23-DEC-03 1BN9 3 JRNL ATOM REMARK EXPDTA
REVDAT 4 2 3 MASTER
REVDAT 3 26-SEP-01 1BN9 3 ATOM
REVDAT 2 26-JAN-00 1BN9 4 HEADER COMPND REMARK JRNL
REVDAT 2 2 4 ATOM SOURCE SEQRES
REVDAT 1 05-AUG-98 1BN9 0
JRNL AUTH C.CASTAGNE,H.TERENZI,M.M.ZAKIN,M.DELEPIERRE
JRNL TITL SOLUTION STRUCTURE OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB
JRNL TITL 2 BETA RESPONSE ELEMENT BY 1H, 31P NMR AND MOLECULAR
JRNL TITL 3 SIMULATION
JRNL REF BIOCHIMIE V. 82 739 2000
JRNL REFN ISSN 0300-9084
JRNL PMID 11018291
JRNL DOI 10.1016/S0300-9084(00)01148-2
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PERSONAL PROGRAM (JUMNA)
REMARK 3 AUTHORS : LAVERY, R, SKLENAR, H., ZAKREZEWSKA, K. AND
REMARK 3 PULLMAN, B.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 REFINEMENT BASED ON FACTOR R IMPROVEMENT. SEE TISNE ET AL, (1998)
REMARK 3 J.MOL.BIOL.
REMARK 3 279, 127-142
REMARK 4
REMARK 4 1BN9 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB.
REMARK 100 THE DEPOSITION ID IS D_1000008029.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : VNMR 5.3
REMARK 210 METHOD USED : DISTANCE GEOMETRY
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 1
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: BEST REFINED STRUCTURE. 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 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (RES=RESIDUE NAME;
REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 470 RES CSSEQI ATOMS
REMARK 470 DT A 1 O5'
REMARK 470 DC B 16 O5'
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 DT A 1 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 DA A 2 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 DG A 3 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES
REMARK 500 DA A 4 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES
REMARK 500 DA A 5 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 DT A 6 O4' - C1' - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 DG A 7 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500 DT A 8 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 DA A 9 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 DG A 10 O4' - C1' - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES
REMARK 500 DT A 12 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES
REMARK 500 DC A 13 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 DA A 14 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES
REMARK 500 DG A 15 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES
REMARK 500 DC B 16 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES
REMARK 500 DT B 17 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 DG B 18 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 DA B 19 O4' - C1' - N9 ANGL. DEV. = 3.2 DEGREES
REMARK 500 DC B 20 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 DC B 21 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES
REMARK 500 DT B 22 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES
REMARK 500 DA B 23 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 DC B 24 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 DA B 25 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 DT B 26 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 DT B 27 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES
REMARK 500 DC B 28 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES
REMARK 500 DT B 29 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES
REMARK 500 DA B 30 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1BN9 A 1 15 PDB 1BN9 1BN9 1 15
DBREF 1BN9 B 16 30 PDB 1BN9 1BN9 16 30
SEQRES 1 A 15 DT DA DG DA DA DT DG DT DA DG DG DT DC
SEQRES 2 A 15 DA DG
SEQRES 1 B 15 DC DT DG DA DC DC DT DA DC DA DT DT DC
SEQRES 2 B 15 DT 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
Complete list - 16 202 Bytes