Header list of 1xhp.pdb file
Complete list - 2 20 Bytes
HEADER RNA 20-SEP-04 1XHP TITLE SOLUTION STRUCTURE OF THE EXTENDED U6 ISL AS OBSERVED IN THE U2/U6 TITLE 2 COMPLEX FROM SACCHAROMYCES CEREVISIAE COMPND MOL_ID: 1; COMPND 2 MOLECULE: U6 SNRNA; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: IN VITRO TRANSCRIPTION OF U6 NUCLEOTIDES 59-88 USING SOURCE 4 PURIFIED T7 RNA POLYMERASE AND SYNTHETIC DNA OLIGONUCLEOTIDES. KEYWDS U6 RNA, RNA STEM-LOOP, PENTA-LOOP, INTERNAL BULGE, METAL BINDING KEYWDS 2 SITE, RNA EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR D.G.SASHITAL,G.CORNILESCU,S.E.BUTCHER REVDAT 4 02-MAR-22 1XHP 1 REMARK REVDAT 3 24-FEB-09 1XHP 1 VERSN REVDAT 2 15-MAR-05 1XHP 1 JRNL REVDAT 1 23-NOV-04 1XHP 0 JRNL AUTH D.G.SASHITAL,G.CORNILESCU,C.J.MCMANUS,D.A.BROW,S.E.BUTCHER JRNL TITL U2-U6 RNA FOLDING REVEALS A GROUP II INTRON-LIKE DOMAIN AND JRNL TITL 2 A FOUR-HELIX JUNCTION JRNL REF NAT.STRUCT.MOL.BIOL. V. 11 1237 2004 JRNL REFN ISSN 1545-9993 JRNL PMID 15543154 JRNL DOI 10.1038/NSMB863 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR 3.5, XPLOR-NIH 2.9.7 REMARK 3 AUTHORS : BRUKER (XWINNMR), REMARK 3 C.D.SCHWIETERS,J.J.KUSZEWSKI,N.TJANDRA,G.M.CLORE REMARK 3 (XPLOR-NIH) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 435 NOE DISTANCE CONSTRAINTS, 244 REMARK 3 DIHEDRAL ANGLE RESTRAINTS, 66 HYDROGEN BOND RESTRAINTS, 77 REMARK 3 RESIDUAL DIPOLAR COUPLINGS REMARK 4 REMARK 4 1XHP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 22-SEP-04. REMARK 100 THE DEPOSITION ID IS D_1000030374. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283; 303; 298 REMARK 210 PH : 6.9; 7.5; 6.9 REMARK 210 IONIC STRENGTH : NULL; NULL; NULL REMARK 210 PRESSURE : NULL; NULL; NULL REMARK 210 SAMPLE CONTENTS : 1MM EXTENDED U6 ISL RNA; 90% REMARK 210 H2O; 10% D2O; 1MM EXTENDED U6 REMARK 210 ISL RNA; 99.99% D2O; 1MM 13C,15N REMARK 210 LABELED EXTENDED U6 ISL RNA; 90% REMARK 210 H2O; 10% D2O; 1MM 13C,15N REMARK 210 LABELED EXTENDED U6 ISL RNA; REMARK 210 99.99% D2O; 1MM 13C,15N LABELED REMARK 210 EXTENDED U6 ISL RNA; 17 MG/ML REMARK 210 PF1 BACTERIOPHAGE; 90% H2O; 10% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; 3D_13C REMARK 210 -SEPARATED_NOESY; 3D [1H-13C-1H] REMARK 210 HCCH-TOCSY; 3D [1H-13C-1H] HCCH - REMARK 210 COSY; 2D [15N-1H] HNN-COSY; J- REMARK 210 MODULATED [13C-1H] CT-HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 750 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : DMX; INOVA REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 1.1, NMRPIPE 97.027.12.56, REMARK 210 SPARKY 3.105, CNS 1.1, XPLOR-NIH REMARK 210 2.9.7 REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION REMARK 210 ANGLE DYNAMICS, MOLECULAR REMARK 210 DYNAMICS, RESIDUAL DIPOLAR REMARK 210 COUPLINGS, CONFORMATIONAL REMARK 210 DATABASE POTENTIALS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 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: 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 H61 A A 5 H41 C A 28 1.27 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 1 A A 2 C1' - O4' - C4' ANGL. DEV. = -4.3 DEGREES REMARK 500 2 A A 2 C1' - O4' - C4' ANGL. DEV. = -4.6 DEGREES REMARK 500 3 A A 16 C3' - O3' - P ANGL. DEV. = 8.5 DEGREES REMARK 500 4 A A 2 C1' - O4' - C4' ANGL. DEV. = -4.5 DEGREES REMARK 500 5 A A 2 C1' - O4' - C4' ANGL. DEV. = -4.2 DEGREES REMARK 500 5 A A 5 C1' - O4' - C4' ANGL. DEV. = -4.3 DEGREES REMARK 500 6 A A 2 C1' - O4' - C4' ANGL. DEV. = -4.5 DEGREES REMARK 500 7 A A 2 C1' - O4' - C4' ANGL. DEV. = -4.4 DEGREES REMARK 500 8 A A 2 C1' - O4' - C4' ANGL. DEV. = -4.4 DEGREES REMARK 500 9 U A 17 C1' - O4' - C4' ANGL. DEV. = -8.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1SY4 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE SHORTENED U6 ISL REMARK 900 RELATED ID: 1R2P RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF DOMAIN 5 FROM THE AI5(GAMMA) GROUP II INTRON REMARK 900 RELATED ID: 1KXK RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF A RNA MOLECULE CONTAINING DOMAIN 5 AND 6 OF REMARK 900 THE YEAST AI5G GROUP II SELF-SPLICING INTRON DBREF 1XHP A 1 32 PDB 1XHP 1XHP 1 32 SEQRES 1 A 32 G A G C A G U U C C C C U SEQRES 2 A 32 G C A U A A G G A U G A A SEQRES 3 A 32 C C 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 - 2 20 Bytes