Header list of 2gbh.pdb file
Complete list - 9 20 Bytes
HEADER RNA 10-MAR-06 2GBH
TITLE NMR STRUCTURE OF STEM REGION OF HELIX-35 OF 23S E.COLI RIBOSOMAL RNA
TITLE 2 (RESIDUES 736-760)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(*(GMP)P*GP*GP*CP*UP*AP*AP*UP*GP*(PSU)
COMPND 3 P*UP*GP*AP*AP*AP*AP*AP*UP*UP*AP*GP*CP*CP*C)-3';
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES;
COMPND 6 OTHER_DETAILS: STEM REGION OF HELIX-35 (PSI746) OF E. COLI 23S
COMPND 7 RIBOSOMAL RNA
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE SEQUENCE OF THIS RNA NATURALLY EXISTS IN 23S
SOURCE 4 RIBOSOMAL RNA OF E.COLI.
KEYWDS RDC, RCSA, RNA
EXPDTA SOLUTION NMR
NUMMDL 5
AUTHOR A.BAX,J.BOISBOUVIER,D.BRYCE,A.GRISHAEV,C.JARONIEC,E.MICLET,
AUTHOR 2 E.NIKONOVICZ,E.O'NEIL-CABELLO,J.YING
REVDAT 3 09-MAR-22 2GBH 1 REMARK LINK
REVDAT 2 24-FEB-09 2GBH 1 VERSN
REVDAT 1 11-APR-06 2GBH 0
JRNL AUTH E.O'NEIL-CABELLO,D.L.BRYCE,E.P.NIKONOWICZ,A.BAX
JRNL TITL MEASUREMENT OF FIVE DIPOLAR COUPLINGS FROM A SINGLE 3D NMR
JRNL TITL 2 MULTIPLET APPLIED TO THE STUDY OF RNA DYNAMICS.
JRNL REF J.AM.CHEM.SOC. V. 126 66 2004
JRNL REFN ISSN 0002-7863
JRNL PMID 14709062
JRNL DOI 10.1021/JA038314K
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XPLOR-NIH 2.9.4
REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, TJANDRA, CLORE
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 EXPERIMENTAL RESTRAINTS FOR THE HELIX-35 STEM ARE
REMARK 3 277 RDCS, 13 31P ANISOTROPIC SHIFTS, 41 DIHEDRAL ANGLES AND 188
REMARK 3 NOES.
REMARK 3 DURING THE REFINEMENT THE GEOMETRIES OF SELECTED RIBOSE RINGS WERE
REMARK 3 KEPT IDENTICAL WITH THE NCS RESTRAINT TERMS. ATTRACTIVE NON-BONDED
REMARK 3 POTENTIALS WERE EMPLOYED. NO DATABASE-DERIVED TERMS WERE USED. THE
REMARK 3 PARAMETER FILE WAS MODIFIED WITH NUCLEOTIDE TYPE-SPECIFIC VALUES
REMARK 3 FOR DISTANCES, ANGLES AND IMPROPER TORSIONS.
REMARK 3 CROSS-VALIDATION STATISTICS ON THE GROUPS OF 1/4 OF RIBOSE 1-BOND
REMARK 3 C-H RDCS CORRESPONDS TO AN AVERAGE Q-FACTOR OF 0.135.
REMARK 4
REMARK 4 2GBH COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-MAR-06.
REMARK 100 THE DEPOSITION ID IS D_1000036920.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.8
REMARK 210 IONIC STRENGTH : 17 MM NACL, 17 MM PHOSPHATE
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.5MM HELIX-35PSI U-15N,13C;
REMARK 210 17MM NACL, 17MM PHOSPHATE BUFFER;
REMARK 210 99% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : RDC MEASUREMENT
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : CARTESIAN SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 5
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 5
REMARK 210 CONFORMERS, SELECTION CRITERIA : ALL CALCULATED STRUCTURES
REMARK 210 SUBMITTED
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 MODELS 1-5
REMARK 465 RES C SSSEQI
REMARK 465 G A 9
REMARK 465 PSU A 10
REMARK 465 U A 11
REMARK 465 G A 12
REMARK 465 A A 13
REMARK 465 A A 14
REMARK 465 A A 15
REMARK 465 A A 16
DBREF 2GBH A 1 24 PDB 2GBH 2GBH 1 24
SEQRES 1 A 24 GMP G G C U A A U G PSU U G A
SEQRES 2 A 24 A A A A U U A G C C C
HET GMP A 1 32
HETNAM GMP GUANOSINE
FORMUL 1 GMP C10 H13 N5 O5
LINK O3' GMP A 1 P G A 2 1555 1555 1.61
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