Header list of 2hem.pdb file
Complete list - 24 20 Bytes
HEADER RNA 21-JUN-06 2HEM
TITLE NMR STRUCTURE AND MG2+ BINDING OF AN RNA SEGMENT THAT UNDERLIES THE
TITLE 2 L7/L12 STALK IN THE E.COLI 50S RIBOSOMAL SUBUNIT.
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-R(P*GP*GP*GP*AP*AP*GP*GP*CP*GP*CP*UP*UP*CP*GP*GP*CP*GP*U
COMPND 3 P*CP*GP*GP*CP*CP*C)-3';
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
SOURCE 4 ORGANISM_TAXID: 32630;
SOURCE 5 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN E. COLI
KEYWDS 23S RRNA, BACKBONE DYNAMICS, CIS WATSON-CRICK G A PAIR, G A MISMATCH,
KEYWDS 2 HELIX 42, L7/L12 STALK, MG2+ BINDING, TANDEM (G A)2, RNA
EXPDTA SOLUTION NMR
NUMMDL 9
AUTHOR Q.ZHAO,U.NAGASWAMY,H.LEE,Y.XIA,X.GAO,G.FOX
REVDAT 3 24-JUN-20 2HEM 1 SOURCE REMARK DBREF
REVDAT 2 24-FEB-09 2HEM 1 VERSN
REVDAT 1 12-SEP-06 2HEM 0
JRNL AUTH Q.ZHAO,U.NAGASWAMY,H.LEE,Y.XIA,H.-C.HUAN,X.GAO,G.E.FOX
JRNL TITL NMR STRUCTURE AND MG2+ BINDING OF AN RNA SEGMENT THAT
JRNL TITL 2 UNDERLIES THE L7/L12 STALK IN THE E.COLI 50S RIBOSOMAL
JRNL TITL 3 SUBUNIT
JRNL REF NUCLEIC ACIDS RES. V. 33 3145 2005
JRNL REFN ISSN 0305-1048
JRNL PMID 15939932
JRNL DOI 10.1093/NAR/GKI621
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS
REMARK 3 AUTHORS : BRUNGER, ET. AL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2HEM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JUN-06.
REMARK 100 THE DEPOSITION ID IS D_1000038259.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298; 276; 285
REMARK 210 PH : 6.5; 6.5; 6.5
REMARK 210 IONIC STRENGTH : 0.1; 0.1; 0.1
REMARK 210 PRESSURE : 1 ATM; 1 ATM; 1 ATM
REMARK 210 SAMPLE CONTENTS : RNA, H2O/D2O; RNA, D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY; P-HSQC; 15N-HSQC;
REMARK 210 2D NOESY; 15N-1H HSQC; 13C-1H
REMARK 210 HSQC; HNN-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : CNS
REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 9
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY, FEWEST VDW
REMARK 210 VIOLATIONS
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 HO2' A A 4 O5' A A 5 1.41
REMARK 500 O2 U A 11 H1 G A 14 1.49
REMARK 500 H1 G A 7 O2 U A 18 1.56
REMARK 500 HO2' G A 3 O5' A A 4 1.60
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1LR2 RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THAUMATIN AT HIGH HYDROSTATIC PRESSURE
DBREF 2HEM A 1 24 PDB 2HEM 2HEM 1 24
SEQRES 1 A 24 G G G A A G G C G C U U C
SEQRES 2 A 24 G G C G U C G G C 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 - 24 20 Bytes