Header list of 1hwq.pdb file
Complete list - b 23 2 Bytes
HEADER RNA 09-JAN-01 1HWQ
TITLE SOLUTION STRUCTURE OF THE VS RIBOZYME SUBSTRATE STEM-LOOP
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: VS RIBOZYME SUBSTRATE RNA;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: RNA SAMPLES WERE TRANSCRIBED FROM SYNTHETIC DNA
SOURCE 4 TEMPLATES USING T7 RNA POLYMERASE.
KEYWDS VS RIBOZYME, STEM-LOOP, TANDEM GA, PROTONATED ADENINE, A+C BASE PAIR,
KEYWDS 2 RNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR J.C.FLINDERS,T.DIECKMANN
REVDAT 4 23-FEB-22 1HWQ 1 REMARK
REVDAT 3 24-FEB-09 1HWQ 1 VERSN
REVDAT 2 01-APR-03 1HWQ 1 JRNL
REVDAT 1 16-MAY-01 1HWQ 0
JRNL AUTH J.FLINDERS,T.DIECKMANN
JRNL TITL A PH CONTROLLED CONFORMATIONAL SWITCH IN THE CLEAVAGE SITE
JRNL TITL 2 OF THE VS RIBOZYME SUBSTRATE RNA.
JRNL REF J.MOL.BIOL. V. 308 665 2001
JRNL REFN ISSN 0022-2836
JRNL PMID 11350168
JRNL DOI 10.1006/JMBI.2001.4627
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, CNS 1.0
REMARK 3 AUTHORS : BRUKER (XWINNMR), BRUNGER, A. (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THESE STRUCTURES WERE CALCULATED USING
REMARK 3 A TOTAL OF 568 RESTRAINTS; INCLUDING 335 NOE-DERIVED DISTANCE
REMARK 3 CONSTRAINTS, 158 DIHEDRAL ANGLE RESTRAINTS, 12 PLANARITY
REMARK 3 RESTRAINTS, AND 63 H-BOND DISTANCE RESTRAINTS.
REMARK 4
REMARK 4 1HWQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JAN-01.
REMARK 100 THE DEPOSITION ID IS D_1000012636.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 274; 298; 298
REMARK 210 PH : 6.0; 6.0; 6.0
REMARK 210 IONIC STRENGTH : 5 MM NACL; 5 MM NACL; 5 MM NACL
REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.5 MM VS RNA; 1.5 MM VS RNA;
REMARK 210 1.5 MM VS RNA, 13C, 15N LABELED
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 2.6, XEASY 1.3.13, CNS
REMARK 210 1.0
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
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
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 8 O2 C A 23 1.34
REMARK 500 HO2' C A 22 O5' C A 23 1.43
REMARK 500 HO2' G A 13 O5' U A 14 1.44
REMARK 500 O2' C A 18 H5' G A 19 1.47
REMARK 500 HO2' U A 14 O5' C A 15 1.50
REMARK 500 N3 C A 12 H21 G A 19 1.53
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1HWQ A 1 30 PDB 1HWQ 1HWQ 1 30
SEQRES 1 A 30 G G U G C G A A G G G C G
SEQRES 2 A 30 U C G U C G C C C C G A G
SEQRES 3 A 30 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
MODEL 1
Complete list - b 23 2 Bytes