Header list of 2bj2.pdb file
Complete list - 9 20 Bytes
HEADER RNA 02-JUL-98 2BJ2
TITLE RNA LOOP-LOOP COMPLEX: THE COLE1 INVERTED LOOP SEQUENCE, NMR,
TITLE 2 MINIMIZED AVERAGE STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA (5'-
COMPND 3 R(*GP*GP*CP*AP*AP*CP*GP*GP*AP*UP*GP*GP*UP*UP*CP*GP*UP*UP*GP*CP*C)-
COMPND 4 3');
COMPND 5 CHAIN: A;
COMPND 6 ENGINEERED: YES;
COMPND 7 OTHER_DETAILS: THE LOOP-LOOP COMPLEX HAS INVERTED LOOP SEQUENCE;
COMPND 8 MOL_ID: 2;
COMPND 9 MOLECULE: RNA (5'-
COMPND 10 R(*GP*CP*AP*CP*CP*GP*AP*AP*CP*CP*AP*UP*CP*CP*GP*GP*UP*GP*C)-3');
COMPND 11 CHAIN: B;
COMPND 12 ENGINEERED: YES;
COMPND 13 OTHER_DETAILS: THE LOOP-LOOP COMPLEX HAS INVERTED LOOP SEQUENCE
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 MOL_ID: 2;
SOURCE 4 SYNTHETIC: YES
KEYWDS COLE1 RNA, LOOP-LOOP COMPLEX, KISS COMPLEX, RIBONUCLEIC ACID, RNA
EXPDTA SOLUTION NMR
AUTHOR A.J.LEE,D.M.CROTHERS
REVDAT 4 09-MAR-22 2BJ2 1 REMARK
REVDAT 3 24-FEB-09 2BJ2 1 VERSN
REVDAT 2 30-MAR-99 2BJ2 1 SOURCE COMPND REMARK TITLE
REVDAT 2 2 1 JRNL KEYWDS HEADER
REVDAT 1 02-FEB-99 2BJ2 0
JRNL AUTH A.J.LEE,D.M.CROTHERS
JRNL TITL THE SOLUTION STRUCTURE OF AN RNA LOOP-LOOP COMPLEX: THE
JRNL TITL 2 COLE1 INVERTED LOOP SEQUENCE.
JRNL REF STRUCTURE V. 6 993 1998
JRNL REFN ISSN 0969-2126
JRNL PMID 9739090
JRNL DOI 10.1016/S0969-2126(98)00101-4
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2BJ2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000177833.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 308
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 25 MM
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : H2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; DQF-COSY; 15N/14N
REMARK 210 SELECTED NOESY; 13C/12C SELECTED
REMARK 210 NOESY; HCCH-COSY; 31P; MQHCN;
REMARK 210 13C-HMQC; 15N-HMQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY; OMEGA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; GE
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR
REMARK 210 METHOD USED : TORSION ANGLE MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 80
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NO EXPERIMENTAL DATA VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING DOUBLE AND TRIPLE
REMARK 210 RESONANCE NMR SPECTROSCOPY ON 13C, 15N LABELED RNA.
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 G A 1 N1 - C2 - N3 ANGL. DEV. = 4.4 DEGREES
REMARK 500 G A 1 N3 - C2 - N2 ANGL. DEV. = -6.6 DEGREES
REMARK 500 G A 1 N1 - C6 - O6 ANGL. DEV. = -4.0 DEGREES
REMARK 500 G A 2 N1 - C2 - N3 ANGL. DEV. = 5.2 DEGREES
REMARK 500 G A 2 N3 - C2 - N2 ANGL. DEV. = -7.4 DEGREES
REMARK 500 G A 2 N1 - C6 - O6 ANGL. DEV. = -3.7 DEGREES
REMARK 500 G A 2 C5 - C6 - O6 ANGL. DEV. = 3.6 DEGREES
REMARK 500 C A 3 O4' - C1' - N1 ANGL. DEV. = 5.7 DEGREES
REMARK 500 A A 4 N1 - C6 - N6 ANGL. DEV. = -6.2 DEGREES
REMARK 500 A A 4 C5 - C6 - N6 ANGL. DEV. = 6.0 DEGREES
REMARK 500 A A 5 N1 - C6 - N6 ANGL. DEV. = -5.5 DEGREES
REMARK 500 A A 5 C5 - C6 - N6 ANGL. DEV. = 5.3 DEGREES
REMARK 500 C A 6 C6 - N1 - C2 ANGL. DEV. = -2.5 DEGREES
REMARK 500 G A 7 N1 - C2 - N3 ANGL. DEV. = 5.2 DEGREES
REMARK 500 G A 7 N3 - C2 - N2 ANGL. DEV. = -6.9 DEGREES
REMARK 500 G A 8 C5' - C4' - O4' ANGL. DEV. = -7.3 DEGREES
REMARK 500 G A 8 N1 - C2 - N3 ANGL. DEV. = 4.9 DEGREES
REMARK 500 G A 8 N3 - C2 - N2 ANGL. DEV. = -8.2 DEGREES
REMARK 500 A A 9 N1 - C6 - N6 ANGL. DEV. = -5.2 DEGREES
REMARK 500 G A 11 N1 - C2 - N3 ANGL. DEV. = 4.4 DEGREES
REMARK 500 G A 11 N3 - C2 - N2 ANGL. DEV. = -7.0 DEGREES
REMARK 500 G A 12 N1 - C2 - N3 ANGL. DEV. = 4.4 DEGREES
REMARK 500 G A 12 N1 - C6 - O6 ANGL. DEV. = -4.5 DEGREES
REMARK 500 G A 12 C5 - C6 - O6 ANGL. DEV. = 4.8 DEGREES
REMARK 500 C A 15 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 C A 15 C6 - N1 - C2 ANGL. DEV. = -2.8 DEGREES
REMARK 500 G A 16 N1 - C2 - N3 ANGL. DEV. = 4.6 DEGREES
REMARK 500 G A 16 N3 - C2 - N2 ANGL. DEV. = -6.2 DEGREES
REMARK 500 G A 19 C3' - C2' - C1' ANGL. DEV. = -5.0 DEGREES
REMARK 500 G A 19 N1 - C2 - N3 ANGL. DEV. = 4.1 DEGREES
REMARK 500 G A 19 N3 - C2 - N2 ANGL. DEV. = -6.9 DEGREES
REMARK 500 C A 20 N3 - C4 - N4 ANGL. DEV. = -6.8 DEGREES
REMARK 500 C A 20 C5 - C4 - N4 ANGL. DEV. = 4.5 DEGREES
REMARK 500 C A 21 C6 - N1 - C2 ANGL. DEV. = -2.8 DEGREES
REMARK 500 G B 1 N1 - C2 - N3 ANGL. DEV. = 4.6 DEGREES
REMARK 500 G B 1 N3 - C2 - N2 ANGL. DEV. = -6.6 DEGREES
REMARK 500 G B 1 N1 - C6 - O6 ANGL. DEV. = -3.6 DEGREES
REMARK 500 G B 1 C5 - C6 - O6 ANGL. DEV. = 3.7 DEGREES
REMARK 500 C B 2 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES
REMARK 500 C B 2 N3 - C2 - O2 ANGL. DEV. = -4.5 DEGREES
REMARK 500 A B 3 N1 - C6 - N6 ANGL. DEV. = -4.8 DEGREES
REMARK 500 C B 5 N3 - C4 - C5 ANGL. DEV. = 2.4 DEGREES
REMARK 500 G B 6 N1 - C2 - N3 ANGL. DEV. = 4.3 DEGREES
REMARK 500 G B 6 N3 - C2 - N2 ANGL. DEV. = -6.2 DEGREES
REMARK 500 A B 8 N1 - C6 - N6 ANGL. DEV. = -9.6 DEGREES
REMARK 500 A B 8 C5 - C6 - N6 ANGL. DEV. = 7.5 DEGREES
REMARK 500 C B 9 C6 - N1 - C2 ANGL. DEV. = -2.8 DEGREES
REMARK 500 C B 10 N3 - C4 - C5 ANGL. DEV. = 3.7 DEGREES
REMARK 500 A B 11 N1 - C6 - N6 ANGL. DEV. = -4.2 DEGREES
REMARK 500 C B 14 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 66 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1BJ2 RELATED DB: PDB
REMARK 900 ENSEMBLE OF 8 STRUCTURES
DBREF 2BJ2 A 1 21 PDB 2BJ2 2BJ2 1 21
DBREF 2BJ2 B 1 19 PDB 2BJ2 2BJ2 1 19
SEQRES 1 A 21 G G C A A C G G A U G G U
SEQRES 2 A 21 U C G U U G C C
SEQRES 1 B 19 G C A C C G A A C C A U C
SEQRES 2 B 19 C G G U G C
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 - 9 20 Bytes