Header list of 1s34.pdb file
Complete list - 2 20 Bytes
HEADER RNA 12-JAN-04 1S34 TITLE SOLUTION STRUCTURE OF RESIDUES 907-929 FROM ROUS SARCOMA VIRUS COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-R(*GP*GP*GP*GP*AP*GP*UP*GP*GP*UP*UP*UP*GP*UP*AP*UP*CP*CP COMPND 3 *UP*UP*CP*CP*C)-3'; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: PSEUDO 5'-SPLICE SITE; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: IN VITRO TRANSCRIPTION KEYWDS STEM-LOOP, TETRALOOP, BULGE, RNA EXPDTA SOLUTION NMR NUMMDL 15 AUTHOR J.CABELLO-VILLEGAS,K.E.GILES,A.M.SOTO,P.YU,K.L.BEEMON,Y.X.WANG REVDAT 3 02-MAR-22 1S34 1 REMARK REVDAT 2 24-FEB-09 1S34 1 VERSN REVDAT 1 31-AUG-04 1S34 0 JRNL AUTH J.CABELLO-VILLEGAS,K.E.GILES,A.M.SOTO,P.YU,A.MOUGIN, JRNL AUTH 2 K.L.BEEMON,Y.X.WANG JRNL TITL SOLUTION STRUCTURE OF THE PSEUDO-5' SPLICE SITE OF A JRNL TITL 2 RETROVIRAL SPLICING SUPPRESSOR. JRNL REF RNA V. 10 1388 2004 JRNL REFN ISSN 1355-8382 JRNL PMID 15317975 JRNL DOI 10.1261/RNA.7020804 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : VNMR 6.1, X-PLOR NIH 2.0.6 REMARK 3 AUTHORS : VARIAN (VNMR), C.D. SCHWIETERS, J.J. KUSZEWSKI, N. REMARK 3 TJANDRA, AND G.M. CLORE (X-PLOR) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 DELPHIC TORSION ANGLE POTENTIAL WAS USED FOR THE WHOLE MOLECULE. REMARK 3 THE BASE POSITION POTENTIAL WAS EXCLUDED FOR RESIDUES 913, AND 917 REMARK 3 TO 920. REMARK 3 PROTOCOL FROM CLORE AND KUSZEWSKI (J AM CHEM SOC. 2003. 125(6): REMARK 3 1518-25) REMARK 4 REMARK 4 1S34 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-JAN-04. REMARK 100 THE DEPOSITION ID IS D_1000021306. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298; 288 REMARK 210 PH : 6.5; 6.5 REMARK 210 IONIC STRENGTH : 25MM NACL, 10 MM SODIUM REMARK 210 PHOSPHATE; 25MM NACL, 10 MM REMARK 210 SODIUM PHOSPHATE REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM 23 MER RNA (NRS23); 1 MM REMARK 210 NRS23 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY; DQF-COSY; HNN- REMARK 210 COSY; HCP REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX; INOVA REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 4.1, NMRDRAW 4.1, REMARK 210 NMRVIEW 5.0.4, X-PLOR NIH 2.0.6 REMARK 210 METHOD USED : SIMULATED ANNEALING. REFINEMENT REMARK 210 USING TORSION ANGLE DYNAMICS AND REMARK 210 THE DELPHIC DATABASE REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15 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: REMARK 210 RDC RESTRAINTS WERE OBTAINED FOR THE BASE ONE BOND H-C AND H-N REMARK 210 USING HSQC EXPERIMENTS. REMARK 210 RDC RESTRAINTS FOR THE RIBOSE WERE OBTAINED FROM MEASUREMENTS ON REMARK 210 AN RELAY HCCH-COSY (VALLURUPALLI AND MOORE, J BIOMOL NMR. 2002. REMARK 210 24(1):63-6). REMARK 210 ANISOTROPIC CONDITIONS WERE ~20 MG/ML PF1 PHAGE. 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 LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 3 U A 917 C4' U A 917 C3' 0.097 REMARK 500 4 G A 919 C4' G A 919 C3' -0.074 REMARK 500 7 U A 918 C4' U A 918 C3' -0.094 REMARK 500 11 U A 918 C4' U A 918 C3' -0.077 REMARK 500 11 U A 920 C4' U A 920 C3' -0.091 REMARK 500 12 U A 918 C4' U A 918 C3' -0.078 REMARK 500 13 G A 909 C4' G A 909 C3' 0.078 REMARK 500 14 U A 918 C4' U A 918 C3' -0.068 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 919 O4' - C4' - C3' ANGL. DEV. = 6.8 DEGREES REMARK 500 2 U A 918 O4' - C4' - C3' ANGL. DEV. = 5.2 DEGREES REMARK 500 3 U A 917 C5' - C4' - C3' ANGL. DEV. = -10.6 DEGREES REMARK 500 3 G A 919 O4' - C4' - C3' ANGL. DEV. = 6.7 DEGREES REMARK 500 4 U A 918 O4' - C4' - C3' ANGL. DEV. = 5.2 DEGREES REMARK 500 5 G A 919 O4' - C4' - C3' ANGL. DEV. = 4.8 DEGREES REMARK 500 6 U A 918 O4' - C4' - C3' ANGL. DEV. = 5.2 DEGREES REMARK 500 7 U A 918 O4' - C4' - C3' ANGL. DEV. = 6.0 DEGREES REMARK 500 7 G A 919 O4' - C4' - C3' ANGL. DEV. = 6.0 DEGREES REMARK 500 11 U A 918 O4' - C4' - C3' ANGL. DEV. = 4.8 DEGREES REMARK 500 13 U A 918 O4' - C4' - C3' ANGL. DEV. = 4.9 DEGREES REMARK 500 14 U A 918 O4' - C4' - C3' ANGL. DEV. = 5.8 DEGREES REMARK 500 14 G A 919 O4' - C4' - C3' ANGL. DEV. = 5.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1S2F RELATED DB: PDB REMARK 900 MINIMZED AVERAGE STRUCTURE FROM THESE LOWEST ENERGY STRUCTURES. DBREF 1S34 A 907 929 PDB 1S34 1S34 907 929 SEQRES 1 A 23 G G G G A G U G G U U U G SEQRES 2 A 23 U A U C C U U C 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 - 2 20 Bytes