Header list of 1arj.pdb file
Complete list - b 16 2 Bytes
HEADER RNA 30-AUG-95 1ARJ
TITLE ARG-BOUND TAR RNA, NMR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TAR RNA;
COMPND 3 CHAIN: N;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS NMR PEPTIDE-BOUND STRUCTURE, NUCLEIC ACIDS, COMPLEX (RNA-PEPTIDE),
KEYWDS 2 RNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR F.ABOUL-ELA,G.VARANI,J.KARN
REVDAT 4 16-FEB-22 1ARJ 1 REMARK
REVDAT 3 24-FEB-09 1ARJ 1 VERSN
REVDAT 2 01-APR-03 1ARJ 1 JRNL
REVDAT 1 08-NOV-96 1ARJ 0
JRNL AUTH F.ABOUL-ELA,J.KARN,G.VARANI
JRNL TITL THE STRUCTURE OF THE HUMAN IMMUNODEFICIENCY VIRUS TYPE-1 TAR
JRNL TITL 2 RNA REVEALS PRINCIPLES OF RNA RECOGNITION BY TAT PROTEIN.
JRNL REF J.MOL.BIOL. V. 253 313 1995
JRNL REFN ISSN 0022-2836
JRNL PMID 7563092
JRNL DOI 10.1006/JMBI.1995.0555
REMARK 1
REMARK 1 REFERENCE 1
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 2
REMARK 1 AUTH F.HAMY,U.ASSELINE,J.GRASBY,S.IWAI,C.PRITCHARD,G.SLIM,
REMARK 1 AUTH 2 P.J.BUTLER,J.KARN,M.J.GAIT
REMARK 1 TITL HYDROGEN-BONDING CONTACTS IN THE MAJOR GROOVE ARE REQUIRED
REMARK 1 TITL 2 FOR HUMAN IMMUNODEFICIENCY VIRUS TYPE-1 TAT PROTEIN
REMARK 1 TITL 3 RECOGNITION OF TAR RNA
REMARK 1 REF J.MOL.BIOL. V. 230 111 1993
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 3
REMARK 1 AUTH M.J.CHURCHER,C.LAMONT,F.HAMY,C.DINGWALL,S.M.GREEN,A.D.LOWE,
REMARK 1 AUTH 2 J.G.BUTLER,M.J.GAIT,J.KARN
REMARK 1 TITL HIGH AFFINITY BINDING OF TAR RNA BY THE HUMAN
REMARK 1 TITL 2 IMMUNODEFICIENCY VIRUS TYPE-1 TAT PROTEIN REQUIRES
REMARK 1 TITL 3 BASE-PAIRS IN THE RNA STEM AND AMINO ACID RESIDUES FLANKING
REMARK 1 TITL 4 THE BASIC REGION
REMARK 1 REF J.MOL.BIOL. V. 230 90 1993
REMARK 1 REFN ISSN 0022-2836
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: NULL
REMARK 4
REMARK 4 1ARJ 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_1000171169.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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: N
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 HO2' G N 18 O4' C N 19 1.58
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 G N 17 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500 1 G N 17 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 1 G N 18 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G N 18 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 A N 20 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 G N 21 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G N 21 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 A N 22 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 G N 26 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 1 G N 26 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 1 A N 27 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 G N 28 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G N 28 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 1 G N 32 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G N 32 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 G N 33 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G N 33 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 G N 34 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 G N 34 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 A N 35 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 G N 36 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G N 36 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 1 G N 43 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G N 43 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 G N 17 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G N 17 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 G N 18 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G N 18 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 2 A N 20 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 2 G N 21 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G N 21 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 A N 22 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 G N 26 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G N 26 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 2 A N 27 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 G N 28 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G N 28 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 G N 32 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G N 32 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 G N 33 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G N 33 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 2 G N 34 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 2 G N 34 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 2 A N 35 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 G N 36 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G N 36 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 2 G N 43 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G N 43 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 3 G N 17 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G N 17 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 480 ANGLE DEVIATIONS.
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 N 1 0.18 SIDE CHAIN
REMARK 500 2 ARG N 1 0.20 SIDE CHAIN
REMARK 500 3 ARG N 1 0.26 SIDE CHAIN
REMARK 500 4 ARG N 1 0.21 SIDE CHAIN
REMARK 500 5 ARG N 1 0.29 SIDE CHAIN
REMARK 500 6 ARG N 1 0.23 SIDE CHAIN
REMARK 500 7 ARG N 1 0.31 SIDE CHAIN
REMARK 500 8 ARG N 1 0.31 SIDE CHAIN
REMARK 500 9 ARG N 1 0.30 SIDE CHAIN
REMARK 500 10 ARG N 1 0.28 SIDE CHAIN
REMARK 500 11 ARG N 1 0.22 SIDE CHAIN
REMARK 500 12 ARG N 1 0.24 SIDE CHAIN
REMARK 500 13 ARG N 1 0.30 SIDE CHAIN
REMARK 500 14 ARG N 1 0.23 SIDE CHAIN
REMARK 500 15 ARG N 1 0.21 SIDE CHAIN
REMARK 500 16 ARG N 1 0.29 SIDE CHAIN
REMARK 500 17 ARG N 1 0.21 SIDE CHAIN
REMARK 500 18 ARG N 1 0.29 SIDE CHAIN
REMARK 500 19 ARG N 1 0.25 SIDE CHAIN
REMARK 500 20 ARG N 1 0.14 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: TAR
REMARK 800 EVIDENCE_CODE: UNKNOWN
REMARK 800 SITE_DESCRIPTION: TAR BULGE
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ARG N 1
DBREF 1ARJ N 17 45 PDB 1ARJ 1ARJ 17 45
SEQRES 1 N 29 G G C A G A U C U G A G C
SEQRES 2 N 29 C U G G G A G C U C U C U
SEQRES 3 N 29 G C C
HET ARG N 1 27
HETNAM ARG ARGININE
FORMUL 2 ARG C6 H15 N4 O2 1+
SITE 1 TAR 3 U N 23 C N 24 U N 25
SITE 1 AC1 7 A N 22 U N 23 G N 26 A N 27
SITE 2 AC1 7 G N 36 C N 37 U N 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