Header list of 1s9l.pdb file
Complete list - r 2 2 Bytes
HEADER RNA 05-FEB-04 1S9L TITLE NMR SOLUTION STRUCTURE OF A PARALLEL LNA QUADRUPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-((TLN)P*(LCG)P*(LCG)P*(LCG)P*(TLN))-3'; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THIS SEQUENCE CONTAINS ALL LNA RESIDUES KEYWDS LNA, QUADRUPLEX, RNA EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR A.RANDAZZO,V.ESPOSITO,O.OHLENSCHLAGER,R.RAMACHANDRAN,L.MAYOLA REVDAT 3 02-MAR-22 1S9L 1 REMARK LINK REVDAT 2 24-FEB-09 1S9L 1 VERSN REVDAT 1 29-JUN-04 1S9L 0 JRNL AUTH A.RANDAZZO,V.ESPOSITO,O.OHLENSCHLAGER,R.RAMACHANDRAN, JRNL AUTH 2 L.MAYOLA JRNL TITL NMR SOLUTION STRUCTURE OF A PARALLEL LNA QUADRUPLEX. JRNL REF NUCLEIC ACIDS RES. V. 32 3083 2004 JRNL REFN ISSN 0305-1048 JRNL PMID 15181173 JRNL DOI 10.1093/NAR/GKH629 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : UXNMR 970101, DISCOVER 98 REMARK 3 AUTHORS : BRUKER (UXNMR), ACCELRYS (DISCOVER) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 292 (73 PER STRAND) NOE-DERIVED REMARK 3 DISTANCE CONSTRAINTS, 48 HYDROGEN BONDS CONSTRAINTS, 36 (9 PER REMARK 3 STRAND) DIHEDRAL ANGLE RESTRAINTS. THE 20 STRUCTURES WITH THE REMARK 3 LOWEST CYANA TARGET FUNCTIONS WERE SUBJECTED ENERGY MINIMIZATION REMARK 3 (WITH NO ANGLE CONSTRAINTS) USING THE CONJUGATE GRADIENT METHOD REMARK 3 AND THE CVFF FORCE FIELD REMARK 4 REMARK 4 1S9L COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-FEB-04. REMARK 100 THE DEPOSITION ID IS D_1000021539. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.80 MM, 5' REMARK 210 -((TLN)P*(LCG)P*(LCG)P*(LCG)P*(TLN))-3', 10 MM KH2PO4, 70 MM KCL, REMARK 210 0.2 MM EDTA, H2O/D2O 9:1; 1.80 MM, 5'-((TLN)P*(LCG)P*(LCG)P* REMARK 210 (LCG)P*(TLN))-3', 10 MM KH2PO4, 70 MM KCL, 0.2 MM EDTA, D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; 1H-31P 2D REMARK 210 COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 750 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX; INOVA REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 6.1/C, FELIX 98, CYANA REMARK 210 1.0.6 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR TECHNIQUES 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: TETRAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D 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 DBREF 1S9L A 1 5 PDB 1S9L 1S9L 1 5 DBREF 1S9L B 6 10 PDB 1S9L 1S9L 6 10 DBREF 1S9L C 11 15 PDB 1S9L 1S9L 11 15 DBREF 1S9L D 16 20 PDB 1S9L 1S9L 16 20 SEQRES 1 A 5 TLN LCG LCG LCG TLN SEQRES 1 B 5 TLN LCG LCG LCG TLN SEQRES 1 C 5 TLN LCG LCG LCG TLN SEQRES 1 D 5 TLN LCG LCG LCG TLN MODRES 1S9L TLN A 1 DU MODRES 1S9L LCG A 2 DG MODRES 1S9L LCG A 3 DG MODRES 1S9L LCG A 4 DG MODRES 1S9L TLN A 5 DU MODRES 1S9L TLN B 6 DU MODRES 1S9L LCG B 7 DG MODRES 1S9L LCG B 8 DG MODRES 1S9L LCG B 9 DG MODRES 1S9L TLN B 10 DU MODRES 1S9L TLN C 11 DU MODRES 1S9L LCG C 12 DG MODRES 1S9L LCG C 13 DG MODRES 1S9L LCG C 14 DG MODRES 1S9L TLN C 15 DU MODRES 1S9L TLN D 16 DU MODRES 1S9L LCG D 17 DG MODRES 1S9L LCG D 18 DG MODRES 1S9L LCG D 19 DG MODRES 1S9L TLN D 20 DU HET TLN A 1 32 HET LCG A 2 35 HET LCG A 3 35 HET LCG A 4 35 HET TLN A 5 35 HET TLN B 6 32 HET LCG B 7 35 HET LCG B 8 35 HET LCG B 9 35 HET TLN B 10 35 HET TLN C 11 32 HET LCG C 12 35 HET LCG C 13 35 HET LCG C 14 35 HET TLN C 15 35 HET TLN D 16 32 HET LCG D 17 35 HET LCG D 18 35 HET LCG D 19 35 HET TLN D 20 35 HETNAM TLN [(1R,3R,4R,7S)-7-HYDROXY-3-(THYMIN-1-YL)-2,5- HETNAM 2 TLN DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN HETNAM 3 TLN PHOSPHATE HETNAM LCG [(1R,3R,4R,7S)-7-HYDROXY-3-(GUANIN-9-YL)-2,5- HETNAM 2 LCG DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN HETNAM 3 LCG PHOSPHATE FORMUL 1 TLN 8(C11 H15 N2 O9 P) FORMUL 1 LCG 12(C11 H14 N5 O8 P) LINK O3' TLN A 1 P LCG A 2 1555 1555 1.62 LINK O3' LCG A 2 P LCG A 3 1555 1555 1.61 LINK O3' LCG A 3 P LCG A 4 1555 1555 1.62 LINK O3' LCG A 4 P TLN A 5 1555 1555 1.62 LINK O3' TLN B 6 P LCG B 7 1555 1555 1.62 LINK O3' LCG B 7 P LCG B 8 1555 1555 1.62 LINK O3' LCG B 8 P LCG B 9 1555 1555 1.62 LINK O3' LCG B 9 P TLN B 10 1555 1555 1.62 LINK O3' TLN C 11 P LCG C 12 1555 1555 1.62 LINK O3' LCG C 12 P LCG C 13 1555 1555 1.62 LINK O3' LCG C 13 P LCG C 14 1555 1555 1.62 LINK O3' LCG C 14 P TLN C 15 1555 1555 1.62 LINK O3' TLN D 16 P LCG D 17 1555 1555 1.62 LINK O3' LCG D 17 P LCG D 18 1555 1555 1.62 LINK O3' LCG D 18 P LCG D 19 1555 1555 1.62 LINK O3' LCG D 19 P TLN D 20 1555 1555 1.62 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