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HEADER RNA 08-NOV-02 1N66 TITLE STRUCTURE OF THE PYRIMIDINE-RICH INTERNAL LOOP IN THE Y-DOMAIN OF TITLE 2 POLIOVIRUS 3'UTR COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTERNAL LOOP IN THE Y-DOMAIN OF POLIOVIRUS 3'UTR; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES KEYWDS RNA INTERNAL LOOP, RNA EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR E.M.LESCRINIER,M.TESSARI,F.J.VAN KUPPEVELD,W.J.MELCHERS,C.W.HILBERS, AUTHOR 2 H.A.HEUS REVDAT 3 23-FEB-22 1N66 1 REMARK REVDAT 2 24-FEB-09 1N66 1 VERSN REVDAT 1 19-AUG-03 1N66 0 JRNL AUTH E.M.LESCRINIER,M.TESSARI,F.J.VAN KUPPEVELD,W.J.MELCHERS, JRNL AUTH 2 C.W.HILBERS,H.A.HEUS JRNL TITL STRUCTURE OF THE PYRIMIDINE-RICH INTERNAL LOOP IN THE JRNL TITL 2 POLIOVIRUS 3'-UTR: THE IMPORTANCE OF MAINTAINING JRNL TITL 3 PSEUDO-2-FOLD SYMMETRY IN RNA HELICES CONTAINING TWO JRNL TITL 4 ADJACENT NON-CANONICAL BASE-PAIRS. JRNL REF J.MOL.BIOL. V. 331 759 2003 JRNL REFN ISSN 0022-2836 JRNL PMID 12909008 JRNL DOI 10.1016/S0022-2836(03)00787-3 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : VNMR 6.1, X-PLOR 3.851 REMARK 3 AUTHORS : VARIAN (VNMR), BRUNGER (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1N66 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-NOV-02. REMARK 100 THE DEPOSITION ID IS D_1000017567. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288; 288; 273; 288 REMARK 210 PH : 5.8; 5.5; 5.5; 5.5 REMARK 210 IONIC STRENGTH : NULL; NULL; NULL; NULL REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT; REMARK 210 AMBIENT REMARK 210 SAMPLE CONTENTS : 3MM RNA; 3MM RNA; 3MM RNA; 1-2MM REMARK 210 RNA, U-13C,15N, C-13C,15N REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ; 600 MHZ; 500 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 2.1, XEASY 1.2.0 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS FOLLOWED REMARK 210 BY CONJUGATE GRADIENT REMARK 210 MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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 H3 U A 6 O2 U A 17 1.36 REMARK 500 H21 G A 1 O2 C A 22 1.51 REMARK 500 O2 C A 5 H3 U A 18 1.52 REMARK 500 H21 G A 10 OP2 A A 13 1.55 REMARK 500 H22 G A 10 N7 A A 13 1.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 255D RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF AN RNA DOUBLE HELIX INCORPORATING A TRACK OF REMARK 900 NON-WATSON-CRICK BASE PAIRS REMARK 900 RELATED ID: 1ZIF RELATED DB: PDB REMARK 900 NMR STRUCTURE WITH GAAA TETRALOOP DBREF 1N66 A 1 22 PDB 1N66 1N66 1 22 SEQRES 1 A 22 G G A C C U C U C G A A A SEQRES 2 A 22 G A G U U G U C 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 - b 23 2 Bytes