Header list of 1tjz.pdb file
Complete list - r 2 2 Bytes
HEADER RNA 07-JUN-04 1TJZ TITLE SOLUTION STRUCTURE OF THE ACTIVE SITE STEM-LOOP OF THE VS RIBOZYME COMPND MOL_ID: 1; COMPND 2 MOLECULE: VS RIBOZYME; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RNA LOOP VI; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: SYNTHESIZED ENZYMATICALLY FROM A DNA TEMPLATE USING SOURCE 4 T7 POLYMERASE KEYWDS RNA HAIRPIN, RNA STEM-LOOP, PROTONATED ADENINE, GA BASE PAIR, RNA EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR J.FLINDERS,T.DIECKMANN REVDAT 3 02-MAR-22 1TJZ 1 REMARK REVDAT 2 24-FEB-09 1TJZ 1 VERSN REVDAT 1 28-SEP-04 1TJZ 0 JRNL AUTH J.FLINDERS,T.DIECKMANN JRNL TITL THE SOLUTION STRUCTURE OF THE VS RIBOZYME ACTIVE SITE LOOP JRNL TITL 2 REVEALS A DYNAMIC "HOT-SPOT" JRNL REF J.MOL.BIOL. V. 341 935 2004 JRNL REFN ISSN 0022-2836 JRNL PMID 15328609 JRNL DOI 10.1016/J.JMB.2004.06.084 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR 3.5, CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE REMARK 3 -KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE, REMARK 3 SIMONSON,WARREN (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE FINAL STRUCTURES ARE BASED ON A REMARK 3 TOTAL OF 699 RESTRAINTS: 582 NOE-DERIVED RESTRAINTS, 52 DIHEDRAL REMARK 3 ANGLE RESTRAINTS, 9 PLANARITY RESTRAINTS, AND 56 DISTANCE REMARK 3 RESTRAINTS FROM HYDROGEN BONDS. REMARK 4 REMARK 4 1TJZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-JUN-04. REMARK 100 THE DEPOSITION ID IS D_1000022704. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283; 293; 293 REMARK 210 PH : 6.0; 6.0; 6.0 REMARK 210 IONIC STRENGTH : NULL; NULL; 10 MM MGCL2 REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM VSVI RNA, 90% H2O, 10% D2O; REMARK 210 1 MM VSVI RNA U-15N,13C,; 1 MM REMARK 210 VSVI RNA, 90% H2O, 10% D2O; 1 MM REMARK 210 VSVI RNA U-15N,13C, 100% D2O; 1 REMARK 210 MM VSVI RNA, 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY; 2D TOCSY; REMARK 210 3D_13C-SEPARATED_NOESY 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 : SPARKY 3.106, CNS 1.1, XWINNMR REMARK 210 3.5 REMARK 210 METHOD USED : THE STRUCTURE CALCULATIONS REMARK 210 UTILIZED STANDARD SIMULATED REMARK 210 ANNEALING PROTOCOLS. 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: THE STRUCTURE WAS DETERMINED FROM RESTRAINTS DERIVED FROM REMARK 210 HOMO- AND HETERONUCLEAR 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 O2' A A 16 OP2 A A 17 1.77 REMARK 500 REMARK 500 REMARK: NULL DBREF 1TJZ A 5 26 PDB 1TJZ 1TJZ 5 26 SEQRES 1 A 22 G G U G A C G C C G U A A SEQRES 2 A 22 G G C G C A 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 - r 2 2 Bytes