Header list of 2f88.pdb file
Complete list - 9 20 Bytes
HEADER RNA 02-DEC-05 2F88 TITLE SOLUTION NMR STRUCTURE OF DOMAIN 5 FROM THE PYAIELLA LITTORALIS (PL) TITLE 2 GROUP II INTRON COMPND MOL_ID: 1; COMPND 2 MOLECULE: D5-PL RNA RIBOZYME DOMAIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: DOMAIN 5 OF PL GROUP II INTRON SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: RNA WAS SYNTHESIZED BY IN VITRO TRANSCRIPTION WITH T7 SOURCE 4 RNA POLYMERASE' KEYWDS RNA HAIRPIN, GNRA TETRALOOP, INTERNAL BULGE, MG METAL BINDING SITE, KEYWDS 2 RNA EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR K.T.DAYIE REVDAT 3 09-MAR-22 2F88 1 REMARK REVDAT 2 24-FEB-09 2F88 1 VERSN REVDAT 1 28-FEB-06 2F88 0 JRNL AUTH M.SEETHARAMAN,N.V.ELDHO,R.A.PADGETT,K.T.DAYIE JRNL TITL STRUCTURE OF A SELF-SPLICING GROUP II INTRON CATALYTIC JRNL TITL 2 EFFECTOR DOMAIN 5: PARALLELS WITH SPLICEOSOMAL U6 RNA JRNL REF RNA V. 12 235 2006 JRNL REFN ISSN 1355-8382 JRNL PMID 16428604 JRNL DOI 10.1261/RNA.2237806 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NMRPIPE 2.1, CNS 1.1 REMARK 3 AUTHORS : DELAGLIO, BAX (NMRPIPE), BRUNGER (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURES BASED ON 549 NOE-DERIVED REMARK 3 DISTANCE RESTRAINTS, 304 DIHEDRAL RESTRAINTS, 60 HYDROGEN BOND REMARK 3 RESTRAINTS, AND 37 RESIDUAL DIPOLAR COUPLING RESTRAINTS REMARK 4 REMARK 4 2F88 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-DEC-05. REMARK 100 THE DEPOSITION ID IS D_1000035573. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 278; 298; 308; 318 REMARK 210 PH : 6.5; 6.5; 6.5; 6.5 REMARK 210 IONIC STRENGTH : 100 MM KCL; 100 MM KCL; 100 MM REMARK 210 KCL; 100 MM KCL REMARK 210 PRESSURE : NULL; NULL; NULL; NULL REMARK 210 SAMPLE CONTENTS : 1 MM FULLY 13C/15N A,C,G,U REMARK 210 LABELED D5-PL, 100 MM KCL, 10 MM REMARK 210 PHOSPHATE, 0-10 MM MGCL2, 92% REMARK 210 H2O AND 8% D2O OR 99.999% D2O; 1 REMARK 210 MM A-13C/15N URACIL LABELED D5- REMARK 210 PL, 100 MM KCL, 10 MM PHOSPHATE REMARK 210 BUFFER, 0-10 MM MGCL2, 92% H2O REMARK 210 AND 8% D2O OR 99.999% D2O; 1 MM REMARK 210 UNLABELED D5-PL, 100 MM KCL, 10 REMARK 210 MM PHOSPHATE BUFFER, 0-10 MM REMARK 210 MGCL2, 92% H2O AND 8% D2O OR REMARK 210 99.999% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; 3D_13C REMARK 210 -SEPARATED_NOESY; 3D_15N- REMARK 210 SEPARATED_NOESY; 3D 1H-13C-1H REMARK 210 HCCH TOCSY; 3D 1H-13C-1H HCCH REMARK 210 COSY; 3D 1H-13C-1H HCCH COSY REMARK 210 TROSY; 3D HCCNH; 3D_13C- REMARK 210 SEPARATED_ROESY; 13C/15N HSQC; REMARK 210 13C/15N TROSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : INOVA; AVANCE REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : SPARKY 3, CNS 1.1 REMARK 210 METHOD USED : TORSION ANGLE MOLECULAR DYNAMICS REMARK 210 CARTESIAN SPACE SIMULATED REMARK 210 ANNEALING RESIDUAL DIPOLAR REMARK 210 COUPLINGS REFINEMENT REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 30 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS,STRUCTURES REMARK 210 WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING A BATTERY OF STANDARD REMARK 210 HOMONUCLEAR AND RECENTLY OPTIMIZED TRIPLE-RESONANCE NMR REMARK 210 EXPERIMENTS 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 H2' C A 4 O4' C A 5 1.59 REMARK 500 REMARK 500 REMARK: NULL DBREF 2F88 A 1 34 PDB 2F88 2F88 1 34 SEQRES 1 A 34 G A G C C G U G U G C G A SEQRES 2 A 34 U G A A A G U C G C A A G SEQRES 3 A 34 C A C G G U U 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 - 9 20 Bytes