Header list of 1f9l.pdb file
Complete list - 23 202 Bytes
HEADER RNA 11-JUL-00 1F9L
TITLE SOLUTION STRUCTURE OF A 22-NUCLEOTIDE HAIRPIN SIMILAR TO THE P5ABC
TITLE 2 REGION OF A GROUP I RIBOZYME WITH COBALT(III)HEXAMMINE COMPLEXED TO
TITLE 3 THE GAAA TETRALOOP
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*AP*AP*AP*GP*AP*UP*GP*GP
COMPND 3 *CP*GP*CP*CP*)-3';
COMPND 4 CHAIN: A;
COMPND 5 FRAGMENT: P5ABC DOMAIN;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE RNA WAS ENZYMATICALLY SYNTHESIZED FROM A
SOURCE 4 SYNTHETIC RNA TEMPLATE USING T7 RNA POLYMERASE
KEYWDS GA MISMATCHES, GAAA TETRALOOP, METAL-ION BINDING, COBALT(III)
KEYWDS 2 HEXAMMINE, HAIRPIN, P5ABC, GROUP I INTRON, RNA
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR S.RUDISSER,I.TINOCO JR.
REVDAT 5 23-FEB-22 1F9L 1 REMARK
REVDAT 4 28-JUL-09 1F9L 1 SPRSDE
REVDAT 3 24-FEB-09 1F9L 1 VERSN
REVDAT 2 01-APR-03 1F9L 1 JRNL
REVDAT 1 26-JUL-00 1F9L 0
SPRSDE 28-JUL-09 1F9L 1EOR
JRNL AUTH S.RUDISSER,I.TINOCO JR.
JRNL TITL SOLUTION STRUCTURE OF COBALT(III)HEXAMMINE COMPLEXED TO THE
JRNL TITL 2 GAAA TETRALOOP, AND METAL-ION BINDING TO G.A MISMATCHES.
JRNL REF J.MOL.BIOL. V. 295 1211 2000
JRNL REFN ISSN 0022-2836
JRNL PMID 10653698
JRNL DOI 10.1006/JMBI.1999.3421
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1, X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER (X-PLOR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: 356 NOE CONSTRAINTS, 16 SUGAR PUCKER
REMARK 3 CONSTRAINTS, 93 TORSION ANGLE CONSTRAINTS, 7 CONSTRAINTS BETWEEN
REMARK 3 COBALT(III)HEXAMMINE AND THE GAAA TETRALOOP
REMARK 4
REMARK 4 1F9L COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-JUL-00.
REMARK 100 THE DEPOSITION ID IS D_1000011412.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 283
REMARK 210 PH : 5.6
REMARK 210 IONIC STRENGTH : 200 MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2.8 MM RNA, 10 MM SODIUM
REMARK 210 PHOSPHATE, 200 MM NACL, 0.1 MM
REMARK 210 EDTA PH 5.6, 3.4 MM COBALT(III)
REMARK 210 HEXAMMINE
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : AMX; DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 95
REMARK 210 METHOD USED : RESTRAINED MOLECULAR DYNAMICS,
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK:
REMARK 210 THE STRUCTURE OF THE COMPLEX WAS DETERMINED USING 7 NOE
REMARK 210 CONSTRAINTS BETWEEN COBALT(III)HEXAMMINE AND THE GAAA TETRALOOP.
REMARK 210 IN ADDITION, THE SAME CONSTRAINTS AS FOR THE 22-NUCLEOTIDE HAIRPIN
REMARK 210 WITHOUT COBALT(III)HEXAMMINE WERE USED.
REMARK 210 FOR RNA WITHOUT COBALT(III)HEXAMMINE SEE ENTRY 1EOR.
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 H61 A A 6 O6 G A 17 1.51
REMARK 500 H61 A A 5 O6 G A 18 1.55
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1EOR RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF THE 22-NUCLEOTIDE WITHOUT COBALT(III)HEXAMMINE
DBREF 1F9L A 1 22 PDB 1F9L 1F9L 1 22
SEQRES 1 A 22 G G C G A A G U C G A A A
SEQRES 2 A 22 G A U G G C G 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
Complete list - 23 202 Bytes