Header list of 1roq.pdb file
Complete list - 2 20 Bytes
HEADER RNA 02-DEC-03 1ROQ
TITLE EXTENDING THE FAMILY OF UNCG-LIKE TETRALOOP MOTIFS: NMR STRUCTURE OF A
TITLE 2 CACG TETRALOOP FROM COXSACKIEVIRUS B3
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*GP*GP*UP*AP*UP*CP*AP*CP*GP*GP*UP*AP*CP*C)-3';
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: RNA WAS PREPARED BY IN VITRO TRANSCRIPTION WITH T7
SOURCE 4 RNA POLYMERASE, THIS SEQUENCE OCCURS NATURALLY IN COXSACKIEVIRUS B3
KEYWDS RNA TETRA-LOOP, RNA
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR Z.DU,J.YU,R.ANDINO,T.L.JAMES
REVDAT 3 02-MAR-22 1ROQ 1 REMARK
REVDAT 2 24-FEB-09 1ROQ 1 VERSN
REVDAT 1 18-MAY-04 1ROQ 0
JRNL AUTH Z.DU,J.YU,R.ANDINO,T.L.JAMES
JRNL TITL EXTENDING THE FAMILY OF UNCG-LIKE TETRALOOP MOTIFS: NMR
JRNL TITL 2 STRUCTURE OF A CACG TETRALOOP FROM COXSACKIEVIRUS B3
JRNL REF BIOCHEMISTRY V. 42 4373 2003
JRNL REFN ISSN 0006-2960
JRNL PMID 12693932
JRNL DOI 10.1021/BI027314E
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DYANA 1.5, CNS 1.0
REMARK 3 AUTHORS : GUNTERT, P. (DYANA), BRUNGER A. (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1ROQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-DEC-03.
REMARK 100 THE DEPOSITION ID IS D_1000020915.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 278; 283; 303
REMARK 210 PH : 6.0; 6.0; 6.0
REMARK 210 IONIC STRENGTH : 25 MM NACL; 25 MM NACL; 25 MM
REMARK 210 NACL
REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1-2MM RNA, 25MM SODIUM PHOSPHATE
REMARK 210 (PH 6.0), 25MM SODIUM CHLORIDE
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : SPARKY 1.0
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS AND
REMARK 210 RESTRAINED MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
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
DBREF 1ROQ A 1 14 PDB 1ROQ 1ROQ 1 14
SEQRES 1 A 14 G G U A U C A C G G U A C
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 - 2 20 Bytes