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HEADER RNA 28-JUN-00 1F85 TITLE SOLUTION STRUCTURE OF HCV IRES RNA DOMAIN IIIE COMPND MOL_ID: 1; COMPND 2 MOLECULE: HCV-1B IRES RNA DOMAIN IIIE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: HCV IRES RNA DOMAIN IIIE (NUCLEOTIDES 290-303 OF GENOMIC COMPND 5 HEPATITIS C VIRAL RNA); COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SYNTHESIZED ENZYMATICALLY IN-VITRO USING T7 RNA SOURCE 4 POLYMERASE KEYWDS RIBONUCLEIC ACID, HEPATITIS C VIRUS INTERNAL RIBOSOME ENTRY SITE, KEYWDS 2 HAIRPIN LOOP, TETRALOOP, RNA STRUCTURE, RNA EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR P.J.LUKAVSKY,G.A.OTTO,A.M.LANCASTER,P.SARNOW,J.D.PUGLISI REVDAT 4 23-FEB-22 1F85 1 REMARK REVDAT 3 24-FEB-09 1F85 1 VERSN REVDAT 2 01-APR-03 1F85 1 JRNL REVDAT 1 17-NOV-00 1F85 0 JRNL AUTH P.J.LUKAVSKY,G.A.OTTO,A.M.LANCASTER,P.SARNOW,J.D.PUGLISI JRNL TITL STRUCTURES OF TWO RNA DOMAINS ESSENTIAL FOR HEPATITIS C JRNL TITL 2 VIRUS INTERNAL RIBOSOME ENTRY SITE FUNCTION. JRNL REF NAT.STRUCT.BIOL. V. 7 1105 2000 JRNL REFN ISSN 1072-8368 JRNL PMID 11101890 JRNL DOI 10.1038/81951 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: SEE REFERENCE ABOVE REMARK 4 REMARK 4 1F85 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-JUL-00. REMARK 100 THE DEPOSITION ID IS D_1000011360. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283 REMARK 210 PH : 6.40 REMARK 210 IONIC STRENGTH : 10MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2.5MM RNA, NON-ISOTOPICALLY REMARK 210 LABELLED REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 31P-DECOUPLED DQF COSY, HP COSY, REMARK 210 D2O NOESY, H2O NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : SPARKY 3.8, VNMR 6.1B REMARK 210 METHOD USED : SIMULATED ANNEALING AND REMARK 210 RESTRAINED MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS,STRUCTURES REMARK 210 WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 19 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING A NON-ISOTOPICALLY REMARK 210 LABELLED RNA SAMPLE. NATURAL ABUNDANCE 13C HMQC EXPERIMENTS WERE REMARK 210 PERFORMED. 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 DBREF 1F85 A 1 14 PDB 1F85 1F85 1 14 SEQRES 1 A 14 G G C C U G A U A G G G U SEQRES 2 A 14 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 MODEL 1
Complete list - 23 20 Bytes