Header list of 1qd3.pdb file
Complete list - l 29 2 Bytes
HEADER RNA 07-JUL-99 1QD3
TITLE HIV-1 TAR RNA/NEOMYCIN B COMPLEX
CAVEAT 1QD3 RIB B 1 HAS WRONG CHIRALITY AT ATOM C1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HIV-1 TAR RNA;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 17-45;
COMPND 5 OTHER_DETAILS: NEOMYCIN B (RESIDUES BDG-CYY-RYB-IDG) COMPLEXED IN THE
COMPND 6 RNA MINOR GROOVE
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1;
SOURCE 3 ORGANISM_TAXID: 11676;
SOURCE 4 CELL_LINE: Z2/CDC-Z34 ISOLATE
KEYWDS HIV-1, AMINOGLYCOSIDE-RNA-COMPLEX, MINOR GROOVE BINDING, RNA
EXPDTA SOLUTION NMR
NUMMDL 17
AUTHOR C.FABER,H.STICHT,P.ROESCH
REVDAT 4 29-JUL-20 1QD3 1 CAVEAT COMPND REMARK HETNAM
REVDAT 4 2 1 LINK SITE ATOM
REVDAT 3 24-FEB-09 1QD3 1 VERSN
REVDAT 2 01-APR-03 1QD3 1 JRNL
REVDAT 1 12-JUL-00 1QD3 0
JRNL AUTH C.FABER,H.STICHT,K.SCHWEIMER,P.ROSCH
JRNL TITL STRUCTURAL REARRANGEMENTS OF HIV-1 TAT-RESPONSIVE RNA UPON
JRNL TITL 2 BINDING OF NEOMYCIN B.
JRNL REF J.BIOL.CHEM. V. 275 20660 2000
JRNL REFN ISSN 0021-9258
JRNL PMID 10747964
JRNL DOI 10.1074/JBC.M000920200
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH S.WANG,P.W.HUBER,C.MEI,A.W.CZARNIK,H.Y.MEI
REMARK 1 TITL BINDING OF NEOMYCIN TO THE TAR ELEMENT OF HIV-1 RNA INDUCES
REMARK 1 TITL 2 DISSOCIATION OF TAT PROTEIN BY AN ALLOSTERIC MECHANISM
REMARK 1 REF BIOCHEMISTRY V. 37 5549 1998
REMARK 1 REFN ISSN 0006-2960
REMARK 1 DOI 10.1021/BI972808A
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: REFINEMENT DETAILS CAN BE FOUND IN THE
REMARK 3 JRNL CITATION ABOVE.
REMARK 4
REMARK 4 1QD3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JUL-99.
REMARK 100 THE DEPOSITION ID IS D_1000001219.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 308
REMARK 210 PH : 6.4
REMARK 210 IONIC STRENGTH : 110 MM
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; COSY; TOCSY; HSQC-NOESY;
REMARK 210 HCCH-COSY; HCCH-TOCSY; XFILTERED-
REMARK 210 NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 750 MHZ
REMARK 210 SPECTROMETER MODEL : DRX600; DMX750
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NDEE, XNDEE, XPLOR
REMARK 210 METHOD USED : MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 17
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY, AGREEMENT WITH
REMARK 210 EXPERIMENTAL DATA
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, 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: 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' U A 42 O5' G A 43 1.41
REMARK 500 H61 A A 22 O4 U A 40 1.50
REMARK 500 HO2' U A 25 O3' G A 26 1.55
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1QD3 A 17 45 PDB 1QD3 1QD3 17 45
SEQRES 1 A 29 G C C A G A U U U G A G C
SEQRES 2 A 29 C U G G G A G C U C U C U
SEQRES 3 A 29 G G C
HET RIB B 1 17
HET IDG B 2 24
HET BDG A 46 25
HET CYY A 47 22
HETNAM RIB ALPHA-D-RIBOFURANOSE
HETNAM IDG 2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSE
HETNAM BDG 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE
HETNAM CYY 2-DEOXYSTREPTAMINE
FORMUL 2 RIB C5 H10 O5
FORMUL 2 IDG C6 H14 N2 O4
FORMUL 3 BDG C6 H14 N2 O4
FORMUL 4 CYY C6 H14 N2 O3
LINK O1 BDG A 46 C4 CYY A 47 1555 1555 1.45
LINK O5 CYY A 47 C1 RIB B 1 1555 1555 1.46
LINK O3 RIB B 1 C1 IDG B 2 1555 1555 1.44
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 - l 29 2 Bytes