Header list of 2g1w.pdb file
Complete list - 9 20 Bytes
HEADER RNA 15-FEB-06 2G1W
TITLE NMR STRUCTURE OF THE AQUIFEX AEOLICUS TMRNA PSEUDOKNOT PK1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*GP*GP*GP*GP*UP*GP*GP*CP*UP*CP*CP*CP*CP*UP*AP*AP*CP*AP
COMPND 3 *GP*CP*CP*G)-3';
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES;
COMPND 6 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE SEQUENCE OF THIS RNA NATURALLY EXISTS IN AQUIFEX
SOURCE 4 AEOLICUS (BACTERIA)
KEYWDS TMRNA, PK1, PSEUDOKNOT, TRANS-TRANSLATION, RNA
EXPDTA SOLUTION NMR
NUMMDL 15
AUTHOR S.NONIN-LECOMTE,F.DARDEL
REVDAT 3 09-MAR-22 2G1W 1 REMARK
REVDAT 2 24-FEB-09 2G1W 1 VERSN
REVDAT 1 11-APR-06 2G1W 0
JRNL AUTH S.NONIN-LECOMTE,B.FELDEN,F.DARDEL
JRNL TITL NMR STRUCTURE OF THE AQUIFEX AEOLICUS TMRNA PSEUDOKNOT PK1:
JRNL TITL 2 NEW INSIGHTS INTO THE RECODING EVENT OF THE RIBOSOMAL
JRNL TITL 3 TRANS-TRANSLATION.
JRNL REF NUCLEIC ACIDS RES. V. 34 1847 2006
JRNL REFN ISSN 0305-1048
JRNL PMID 16595798
JRNL DOI 10.1093/NAR/GKL111
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : UXNMR 3.1, CNS 1.1
REMARK 3 AUTHORS : BRUKER (UXNMR), BRUNGER, ADAMS,CLORE,
REMARK 3 DELANO,GROSS, GROSSE-KUNSTLEVE, JIANG, KUZEWSKI,
REMARK 3 NILGES, PANNU, READ, RICE, SIMMONSON, WARREN (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: A- DYNAMICAL ANNEALING PROTOCOL:
REMARK 3 1. TAMD 30 PS AT 20000K
REMARK 3 2. FIRST COOLING STAGE TAMD 40PS
REMARK 3 3. SECOND SLOW COOLING ANNEALING STAGE, RESTRAINED MOLECULAR
REMARK 3 DYNAMICS 35PS.
REMARK 3 4. 10 CYCLES OF ENERGY MINIMIZATION OF 300 STEPS EACH.
REMARK 3 B- ENERGY MINIMIZATION:
REMARK 3 1-TAMD 10PS AT 300K,
REMARK 3 2- COOLING OVER 9 PS AND 10 POWELL CYCLES OF 800 STEPS EACH.
REMARK 4
REMARK 4 2G1W COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-FEB-06.
REMARK 100 THE DEPOSITION ID IS D_1000036584.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 278; 293
REMARK 210 PH : 6.3; 6.3
REMARK 210 IONIC STRENGTH : 50MM NACL; 50MM NACL
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.7MM 13C,15N PK1, 50MM NACL,
REMARK 210 0.5 MM EDTA; 1MM UNLABELED PK1,
REMARK 210 50MM NACL, 0.5 MM EDTA
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; HCN, 1H 13C HSQC, 1H
REMARK 210 13C CONSTANT TIME HSQC, 1H 13C
REMARK 210 LONG-RANGE HSQC, HCCH-TOCSY,
REMARK 210 HCCH E.COSY, HCC-TOCSY-CCH-
REMARK 210 E.COSY, 3D NOESY-HSQC; HMBC, 1H
REMARK 210 15N TROSY, 2JNN HNN-COSY, 2JNH
REMARK 210 HNN-COSY, 3D NOESY-HMBC; 2D
REMARK 210 NOESY, TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 2000.1, MOLMOL 2K.1
REMARK 210 METHOD USED : CNS DYNAMICAL ANNEALING PROTOCOL
REMARK 210 FOR NUCLEIC ACIDS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY, STRUCTURES
REMARK 210 WITH FAVORABLE NON-BOND ENERGY,
REMARK 210 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 : 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 2G1W A 1 22 PDB 2G1W 2G1W 1 22
SEQRES 1 A 22 G G G G U G G C U C C C C
SEQRES 2 A 22 U A A C A G C C G
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 - 9 20 Bytes