Header list of 1c0o.pdb file
Complete list - 16 20 Bytes
HEADER RNA 16-MAR-99 1C0O
TITLE SOLUTION STRUCTURE OF THE P5 HAIRPIN FROM A GROUP I INTRON COMPLEXED
TITLE 2 WITH COBALT (III) HEXAMMINE, NMR, 19 CONVERGED STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA (5'-R(*GP*GP*GP*UP*CP*UP*UP*CP*GP*GP*GP*UP*CP*C)-3');
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: CLOSED BY A UUCG TETRALOOP; COBALT (III) HEXAMMINE
COMPND 6 BINDS AT THE MAJOR GROOVE OF TWO TANDEM G-U WOBBLE PAIRS IN 5'-GU-3'
COMPND 7 ORIENTATION
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: TETRAHYMENA THERMOPHILA;
SOURCE 3 ORGANISM_TAXID: 5911;
SOURCE 4 OTHER_DETAILS: SYNTHESIZED ENZYMATICALLY IN-VITRO USING T7 RNA
SOURCE 5 POLYMERASE
KEYWDS RIBONUCLEIC ACID, COBALT (III) HEXAMMINE, METAL BINDING, RNA
KEYWDS 2 STRUCTURE, RNA
EXPDTA SOLUTION NMR
NUMMDL 19
AUTHOR G.COLMENAREJO,I.TINOCO JR.
REVDAT 4 16-FEB-22 1C0O 1 REMARK
REVDAT 3 24-FEB-09 1C0O 1 VERSN
REVDAT 2 15-DEC-99 1C0O 1 JRNL
REVDAT 1 31-AUG-99 1C0O 0
JRNL AUTH G.COLMENAREJO,I.TINOCO JR.
JRNL TITL STRUCTURE AND THERMODYNAMICS OF METAL BINDING IN THE P5
JRNL TITL 2 HELIX OF A GROUP I INTRON RIBOZYME.
JRNL REF J.MOL.BIOL. V. 290 119 1999
JRNL REFN ISSN 0022-2836
JRNL PMID 10388561
JRNL DOI 10.1006/JMBI.1999.2867
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: REFINEMENT DETAILS CAN BE FOUND IN THE
REMARK 3 JRNL CITATION ABOVE
REMARK 4
REMARK 4 1C0O COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-JUL-99.
REMARK 100 THE DEPOSITION ID IS D_1000001235.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.4
REMARK 210 IONIC STRENGTH : 100 MM NACL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : PHOSPHATE BUFFER, EDTA
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY; D2O NOESY; H2O NOESY;
REMARK 210 TOCSY; 13C-1H HMQC; 31P-1H
REMARK 210 HETCOR; 31P-1H TOCSY; 31P-1H
REMARK 210 TOCSY-NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : AMX600; DRX500
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX95, X-PLOR 3.1
REMARK 210 METHOD USED : RESTRAINED MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 40
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 19
REMARK 210 CONFORMERS, SELECTION CRITERIA : NOE ENERGY (LEAST RESTRAINT
REMARK 210 VIOLATIONS), DIHEDRAL ENERGY
REMARK 210 (LEAST RESTRAINT VIOLATIONS),
REMARK 210 TOTAL ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK:
REMARK 210 THE STRUCTURE WAS DETERMINED USING A NON-ISOTOPICALLY LABELLED RNA
REMARK 210 SAMPLE. ALL
REMARK 210 13C EXPERIMENTS WERE DONE USING NATURAL ABUNDANCE. COBALT (III)
REMARK 210 HEXAMMINE WAS
REMARK 210 LOCATED USING DOCKING WITH 7 INTERMOLECULAR NOES OBSERVED IN 2D
REMARK 210 WATER NOESY
REMARK 210 EXPERIMENTS.
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 HO2' U A 6 O6 G A 9 1.57
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO A 15
DBREF 1C0O A 1 14 PDB 1C0O 1C0O 1 14
SEQRES 1 A 14 G G G U C U U C G G G U C
SEQRES 2 A 14 C
HET NCO A 15 25
HETNAM NCO COBALT HEXAMMINE(III)
FORMUL 2 NCO CO H18 N6 3+
SITE 1 AC1 5 G A 2 G A 3 U A 4 G A 11
SITE 2 AC1 5 U A 12
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 - 16 20 Bytes