Header list of 1aju.pdb file
Complete list - b 16 2 Bytes
HEADER RNA 10-MAY-97 1AJU
TITLE HIV-2 TAR-ARGININAMIDE COMPLEX, NMR, 20 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TAR RNA;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: TAR;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS COMPLEX (RIBONUCLEIC ACID-LIGAND), TRANSCRIPTIONAL ACTIVATION,
KEYWDS 2 PROTEIN-RNA INTERACTIONS, RNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR A.S.BRODSKY,J.R.WILLIAMSON
REVDAT 3 16-FEB-22 1AJU 1 REMARK
REVDAT 2 24-FEB-09 1AJU 1 VERSN
REVDAT 1 17-DEC-97 1AJU 0
JRNL AUTH A.S.BRODSKY,J.R.WILLIAMSON
JRNL TITL SOLUTION STRUCTURE OF THE HIV-2 TAR-ARGININAMIDE COMPLEX.
JRNL REF J.MOL.BIOL. V. 267 624 1997
JRNL REFN ISSN 0022-2836
JRNL PMID 9126842
JRNL DOI 10.1006/JMBI.1996.0879
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH A.GELBIN,B.SCHNEIDER,L.CLOWNY,S.-H.HSIEH,W.K.OLSEN,
REMARK 1 AUTH 2 H.M.BERMAN
REMARK 1 TITL GEOMETRIC PARAMETERS IN NUCLEIC ACIDS: SUGAR AND PHOSPHATE
REMARK 1 TITL 2 CONSTITUENTS
REMARK 1 REF J.AM.CHEM.SOC. V. 118 519 1996
REMARK 1 REFN ISSN 0002-7863
REMARK 1 REFERENCE 2
REMARK 1 AUTH F.ABOUL-ELA,J.KARN,G.VARANI
REMARK 1 TITL THE STRUCTURE OF THE HUMAN IMMUNODEFICIENCY VIRUS TYPE-1 TAR
REMARK 1 TITL 2 RNA REVEALS PRINCIPLES OF RNA RECOGNITION BY TAT PROTEIN
REMARK 1 REF J.MOL.BIOL. V. 253 313 1995
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 3
REMARK 1 AUTH J.D.PUGLISI,L.CHEN,A.D.FRANKEL,J.R.WILLIAMSON
REMARK 1 TITL ROLE OF RNA STRUCTURE IN ARGININE RECOGNITION OF TAR RNA
REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 90 3680 1993
REMARK 1 REFN ISSN 0027-8424
REMARK 1 REFERENCE 4
REMARK 1 AUTH J.D.PUGLISI,R.TAN,B.J.CALNAN,A.D.FRANKEL,J.R.WILLIAMSON
REMARK 1 TITL CONFORMATION OF THE TAR RNA-ARGININE COMPLEX BY NMR
REMARK 1 TITL 2 SPECTROSCOPY
REMARK 1 REF SCIENCE V. 257 76 1992
REMARK 1 REFN ISSN 0036-8075
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: BOND LENGTHS AND ANGLES WERE USED AS
REMARK 3 DESCRIBED BY THE NUCLEIC ACID DATABASE (SEE REFERENCE REFINEMENT
REMARK 3 DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE.
REMARK 4
REMARK 4 1AJU 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_1000170905.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.4
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : SEE PAPER
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 591 MHZ; 750 MHZ
REMARK 210 SPECTROMETER MODEL : VXR500; UNITYPLUS; HOME-MADE
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; HOME MADE
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR 3.1
REMARK 210 METHOD USED : RANDOM COORDINATES AND SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINTS AND LOWEST
REMARK 210 ENERGY
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: 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
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 ARG A 47 0.28 SIDE CHAIN
REMARK 500 2 ARG A 47 0.23 SIDE CHAIN
REMARK 500 3 ARG A 47 0.26 SIDE CHAIN
REMARK 500 4 ARG A 47 0.22 SIDE CHAIN
REMARK 500 5 ARG A 47 0.23 SIDE CHAIN
REMARK 500 6 ARG A 47 0.26 SIDE CHAIN
REMARK 500 7 ARG A 47 0.26 SIDE CHAIN
REMARK 500 8 ARG A 47 0.29 SIDE CHAIN
REMARK 500 9 ARG A 47 0.31 SIDE CHAIN
REMARK 500 10 ARG A 47 0.24 SIDE CHAIN
REMARK 500 11 ARG A 47 0.21 SIDE CHAIN
REMARK 500 12 ARG A 47 0.27 SIDE CHAIN
REMARK 500 13 ARG A 47 0.28 SIDE CHAIN
REMARK 500 14 ARG A 47 0.22 SIDE CHAIN
REMARK 500 15 ARG A 47 0.29 SIDE CHAIN
REMARK 500 16 ARG A 47 0.32 SIDE CHAIN
REMARK 500 17 ARG A 47 0.29 SIDE CHAIN
REMARK 500 18 ARG A 47 0.26 SIDE CHAIN
REMARK 500 19 ARG A 47 0.28 SIDE CHAIN
REMARK 500 20 ARG A 47 0.28 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 610
REMARK 610 MISSING HETEROATOM
REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 610 I=INSERTION CODE):
REMARK 610 M RES C SSEQI
REMARK 610 1 ARG A 47
REMARK 610 2 ARG A 47
REMARK 610 3 ARG A 47
REMARK 610 4 ARG A 47
REMARK 610 5 ARG A 47
REMARK 610 6 ARG A 47
REMARK 610 7 ARG A 47
REMARK 610 8 ARG A 47
REMARK 610 9 ARG A 47
REMARK 610 10 ARG A 47
REMARK 610 11 ARG A 47
REMARK 610 12 ARG A 47
REMARK 610 13 ARG A 47
REMARK 610 14 ARG A 47
REMARK 610 15 ARG A 47
REMARK 610 16 ARG A 47
REMARK 610 17 ARG A 47
REMARK 610 18 ARG A 47
REMARK 610 19 ARG A 47
REMARK 610 20 ARG A 47
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ARG A 47
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1AKX RELATED DB: PDB
REMARK 900 MINIMIZED AVERAGE STRUCTURE
DBREF 1AJU A 16 46 PDB 1AJU 1AJU 16 46
SEQRES 1 A 30 G G C C A G A U U G A G C
SEQRES 2 A 30 C U G G G A G C U C U C U
SEQRES 3 A 30 G G C C
HET ARG A 47 26
HETNAM ARG ARGININE
FORMUL 2 ARG C6 H15 N4 O2 1+
SITE 1 AC1 5 A A 22 U A 23 G A 26 C A 37
SITE 2 AC1 5 U A 38
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 16 2 Bytes