Header list of 1k5i.pdb file
Complete list - 23 20 Bytes
HEADER RNA 10-OCT-01 1K5I
TITLE NMR STRUCTURE OF A RIBOSOMAL RNA HAIRPIN CONTAINING A CONSERVED CUCAA
TITLE 2 PENTALOOP
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(P*GP*GP*AP*CP*CP*CP*GP*GP*GP*CP*UP*CP*AP*AP*CP*CP*UP*G
COMPND 3 P*GP*GP*UP*CP*C)-3';
COMPND 4 CHAIN: A;
COMPND 5 FRAGMENT: 16S RIBOSOMAL RNA FRAGMENT (612-628);
COMPND 6 ENGINEERED: YES;
COMPND 7 OTHER_DETAILS: CUCAA PENTALOOP
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE OLIGONUCLEOTIDE WAS SYNTHESIZED BY T7 RUN-OFF
SOURCE 4 TRANSCRIPTION.
KEYWDS CUCAA PENTALOOP, RNA HAIRPIN, NON STANDARD BASE-BASE INTERACTION, RNA
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR U.NAGASWAMY,X.GAO,S.A.MARTINIS,G.E.FOX
REVDAT 4 23-FEB-22 1K5I 1 REMARK
REVDAT 3 24-FEB-09 1K5I 1 VERSN
REVDAT 2 09-JAN-02 1K5I 1 JRNL REMARK
REVDAT 1 17-OCT-01 1K5I 0
JRNL AUTH U.NAGASWAMY,X.GAO,S.A.MARTINIS,G.E.FOX
JRNL TITL NMR STRUCTURE OF A RIBOSOMAL RNA HAIRPIN CONTAINING A
JRNL TITL 2 CONSERVED CUCAA PENTALOOP.
JRNL REF NUCLEIC ACIDS RES. V. 29 5129 2001
JRNL REFN ISSN 0305-1048
JRNL PMID 11812846
JRNL DOI 10.1093/NAR/29.24.5129
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: A TOTAL OF 300 STRUCTURES WERE
REMARK 3 CALCULATED USING DISTANCE GEOMETRY UTILIZING 123 EXPERIMENTALLY
REMARK 3 DERIVED DISTANCE RESTRAINTS FOR THE LOOP AND 918 (258-
REMARK 3 EXPERIMENTAL DISTANCES, 660-A FORM DISTANCES) DISTANCE
REMARK 3 RESTRAINTS FOR THE STEM REGION AND 143 DIHEDRAL ANGLE
REMARK 3 RESTRAINTS. ADDITIONALLY, 50 DISTANCE RESTRAINTS WERE USED TO
REMARK 3 MAINTAIN THE WATSON-CRICK GEOMETRY OF THE BASE PAIRS IN THE STEM
REMARK 3 REGION. FINAL REFINEMENT RESULTED IN 10 LOWEST ENERGY STRUCTURES.
REMARK 4
REMARK 4 1K5I COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-OCT-01.
REMARK 100 THE DEPOSITION ID IS D_1000014585.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 10 MM SODIUM PHOSPHATE
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.8 MM RNA; 10 MM SODIUM
REMARK 210 PHOSPHATE; 0.1 MM EDTA; PH 6.5;
REMARK 210 10 MM SODIUM PHOSPHATE; 0.1 MM
REMARK 210 EDTA; PH 6.5
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY; 1H-31P
REMARK 210 HETCOR; COSY-35; TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED
REMARK 210 ANNEALING, RESTRAINED MOLECULAR
REMARK 210 DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 33
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 : 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
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 1K5I A 1 23 PDB 1K5I 1K5I 1 23
SEQRES 1 A 23 G G A C C C G G G C U C A
SEQRES 2 A 23 A C C U G G 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 - 23 20 Bytes