Header list of 1ow9.pdb file
Complete list - 23 20 Bytes
HEADER RNA 28-MAR-03 1OW9 TITLE NMR STRUCTURE OF THE ACTIVE CONFORMATION OF THE VS RIBOZYME CLEAVAGE TITLE 2 SITE COMPND MOL_ID: 1; COMPND 2 MOLECULE: A MIMIC OF THE VS RIBOZYME HAIRPIN SUBSTRATE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: VS RNA SUBSTRATE HAIRPIN; COMPND 5 SYNONYM: SL1; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THIS SEQUENCE IS DERIVED FROM THE NEUROSPORA VS SOURCE 4 RIBOZYME SUBSTRATE KEYWDS VS RIBOZYME, SUBSTRATE HAIRPIN, CLEAVAGE SITE, SHEARED G-A BASE KEYWDS 2 PAIRS, SHARED SHEARED G-A BASE PAIRS, MAGNESIUM ION BINDING, GNRA KEYWDS 3 TETRALOOP, RIBOZE ZIPPER, RNA EXPDTA SOLUTION NMR NUMMDL 11 MDLTYP MINIMIZED AVERAGE AUTHOR B.HOFFMANN,G.T.MITCHELL,P.GENDRON,F.MAJOR,A.A.ANDERSEN,R.A.COLLINS, AUTHOR 2 P.LEGAULT REVDAT 4 23-FEB-22 1OW9 1 REMARK REVDAT 3 24-FEB-09 1OW9 1 VERSN REVDAT 2 17-JUN-03 1OW9 1 JRNL REVDAT 1 20-MAY-03 1OW9 0 JRNL AUTH B.HOFFMANN,G.T.MITCHELL,P.GENDRON,F.MAJOR,A.A.ANDERSEN, JRNL AUTH 2 R.A.COLLINS,P.LEGAULT JRNL TITL NMR STRUCTURE OF THE ACTIVE CONFORMATION OF THE VARKUD JRNL TITL 2 SATELLITE RIBOZYME CLEAVAGE SITE JRNL REF PROC.NATL.ACAD.SCI.USA V. 100 7003 2003 JRNL REFN ISSN 0027-8424 JRNL PMID 12782785 JRNL DOI 10.1073/PNAS.0832440100 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NMRPIPE 2.1, X-PLOR 3.840 REMARK 3 AUTHORS : DELAGLIO (NMRPIPE), BRUNGER (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE FIRST MODEL IS THE MINIMIZED AVERAGE STRUCTURE, THE LAST 10 REMARK 3 REPRESENT THE ENSEMBLE OF STRUCTURES REMARK 4 REMARK 4 1OW9 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 31-MAR-03. REMARK 100 THE DEPOSITION ID IS D_1000018730. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 50MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.1 MM RNA U-13C,15N; 10 MM D11 REMARK 210 -TRIS PH 7.0; 50 MM NACL; 0.2 MM REMARK 210 EDTA; 0.05 MM NAN3; 1.1 MM RNA U- REMARK 210 13C,15N; 10 MM D11-TRIS PH 7.0; REMARK 210 50 MM NACL; 0.2 MM EDTA; 0.05 MM REMARK 210 NAN3; 1.7 MM RNA U-15N; 10 MM REMARK 210 D11-TRIS PH 7.0; 50 MM NACL; 0.2 REMARK 210 MM EDTA; 0.05 MM NAN3; 5.3 MM REMARK 210 RNA U-15N; 10 MM D11-TRIS PH 7.0; REMARK 210 50 MM NACL; 0.2 MM EDTA; 0.05MM REMARK 210 NAN3; 1.7 MM RNA; 10 MM D11-TRIS REMARK 210 PH 7.0; 50 MM NACL; 0.2 MM EDTA; REMARK 210 0.05 MM NAN3; 1.7 MM RNA; 10 MM REMARK 210 D11-TRIS PH 7.0; 50 MM NACL; 0.2 REMARK 210 MM EDTA; 0.05 MM NAN3 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D 13C/15N-EDITED HSQC-NOESY; 3D REMARK 210 13C-EDITED HMQC-NOESY; 2D 1H/15N REMARK 210 CPMG-NOESY; 2D HNN-COSY; 2D H(CN) REMARK 210 N(H); 2D DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRVIEW 5.03, X-PLOR 3.840, REMARK 210 MOLMOL 2K.1 REMARK 210 METHOD USED : RESTRAINED MOLECULAR DYNAMICS; REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 11 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY 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 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 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 A A 2 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 1 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 1 G A 5 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 5 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 A A 6 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 A A 7 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 G A 8 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 8 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 A A 9 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 1 G A 11 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 11 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 A A 13 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 A A 14 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 G A 15 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 15 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 1 G A 18 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 G A 18 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 1 A A 19 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 1 G A 20 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 1 G A 20 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 2 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 2 A A 2 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 2 G A 5 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 5 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 2 A A 6 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 A A 7 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 G A 8 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 8 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 2 A A 9 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 G A 11 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 11 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 2 A A 12 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 A A 13 N7 - C8 - N9 ANGL. DEV. = 3.6 DEGREES REMARK 500 2 A A 14 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 G A 15 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 15 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 2 G A 18 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 18 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES REMARK 500 2 A A 19 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 G A 20 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 G A 20 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES REMARK 500 3 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 3 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 264 ANGLE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1E4P RELATED DB: PDB REMARK 900 STRUCTURE OF THE RIBOZYME SUBSTRATE HAIRPIN OF NEUROSPORA VS RNA. A REMARK 900 CLOSE LOOK AT THE CLEAVAGE SITE REMARK 900 RELATED ID: 1HWQ RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE VS RIBOZYME SUBSTRATE STEM-LOOP DBREF 1OW9 A 1 23 PDB 1OW9 1OW9 1 23 SEQRES 1 A 23 G A G C G A A G A C G A A SEQRES 2 A 23 A G U C G A G C 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 - 23 20 Bytes