Header list of 2adt.pdb file
Complete list - r 9 2 Bytes
HEADER RNA 20-JUL-05 2ADT
TITLE NMR STRUCTURE OF A 30 KDA GAAA TETRALOOP-RECEPTOR COMPLEX.
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 43-MER;
COMPND 3 CHAIN: A, B;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: GAAA TETRALOOP-RECEPTOR RNA
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS GAAA TETRALOOP GAAA TETRALOOP-RECEPTOR, RNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR J.H.DAVIS,M.TONELLI,L.G.SCOTT,L.JAEGER,J.R.WILLIAMSON,S.E.BUTCHER
REVDAT 3 09-MAR-22 2ADT 1 REMARK
REVDAT 2 24-FEB-09 2ADT 1 VERSN
REVDAT 1 26-JUL-05 2ADT 0
JRNL AUTH J.H.DAVIS,M.TONELLI,L.G.SCOTT,L.JAEGER,J.R.WILLIAMSON,
JRNL AUTH 2 S.E.BUTCHER
JRNL TITL RNA HELICAL PACKING IN SOLUTION: NMR STRUCTURE OF A 30 KDA
JRNL TITL 2 GAAA TETRALOOP-RECEPTOR COMPLEX
JRNL REF J.MOL.BIOL. V. 351 371 2005
JRNL REFN ISSN 0022-2836
JRNL PMID 16002091
JRNL DOI 10.1016/J.JMB.2005.05.069
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR-NIH 2.11
REMARK 3 AUTHORS : SCHWIETERS, C. D., KUSZEWSKI, J. J., TJANDRA, N.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2ADT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JUL-05.
REMARK 100 THE DEPOSITION ID IS D_1000033775.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303; 283
REMARK 210 PH : 6.8; 6.8
REMARK 210 IONIC STRENGTH : ~50 MM NACL; ~50 MM NA CL
REMARK 210 PRESSURE : 1 ATM; 1 ATM
REMARK 210 SAMPLE CONTENTS : ALL NMR SAMPLES WERE BETWEEN 0.5
REMARK 210 AND 2.0 MM RNA,100% D2O; ALL NMR
REMARK 210 SAMPLES WERE BETWEEN 0.5 AND 2.0
REMARK 210 MM RNA, 10% D2O, 90 H2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; 3D_13C
REMARK 210 -SEPARATED_NOESY; HNN-COSY; HCCH-
REMARK 210 TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 750 MHZ; 800 MHZ; 900
REMARK 210 MHZ
REMARK 210 SPECTROMETER MODEL : DMX; INOVA
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 2.6, CNS 1.0, X-PLOR-NIH
REMARK 210 2.11, NMRPIPE 2.3, SPARKY 3.111
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
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: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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 21 H61 A B 49 1.34
REMARK 500 O2' C B 84 H5' C B 85 1.53
REMARK 500 O2' C A 41 H5' C A 42 1.54
REMARK 500 O2' C B 85 H5' U B 86 1.56
REMARK 500 O2' G A 17 H5' G A 18 1.57
REMARK 500 O2' U B 69 H5' G B 70 1.57
REMARK 500
REMARK 500 REMARK: NULL
DBREF 2ADT A 1 43 PDB 2ADT 2ADT 1 43
DBREF 2ADT B 44 86 PDB 2ADT 2ADT 44 86
SEQRES 1 A 43 G G G A U A U G G A A G A
SEQRES 2 A 43 A C C G G G G A A A C U U
SEQRES 3 A 43 G G U U C U U C C U A A G
SEQRES 4 A 43 U C C U
SEQRES 1 B 43 G G G A U A U G G A A G A
SEQRES 2 B 43 A C C G G G G A A A C U U
SEQRES 3 B 43 G G U U C U U C C U A A G
SEQRES 4 B 43 U C C U
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 - r 9 2 Bytes