Header list of 1hhx.pdb file
Complete list - r 25 2 Bytes
HEADER ANTISENSE 29-DEC-00 1HHX TITLE SOLUTION STRUCTURE OF LNA3:RNA HYBRID CAVEAT 1HHX NUCLEIC ACID RESIDUES HAVE CHIRALITY ERRORS CAVEAT 2 1HHX RESIDUE C A 1 AT ATOM C5* CAVEAT 3 1HHX RESIDUE C A 1 AT ATOM C5* COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5- D(*CP*+TP*GP*AP*+TP*AP*+TP*GP*C) -3; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: 5- R(*GP*CP*AP*UP*AP*UP*CP*AP*G) -3; COMPND 6 CHAIN: B SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES KEYWDS ANTISENSE, LOCKED NUCLEIC ACID, LNA, RNA, HYBRID, RNASE H EXPDTA SOLUTION NMR NUMMDL 34 AUTHOR M.PETERSEN,K.BONDENSGAARD,J.WENGEL,J.P.JACOBSEN REVDAT 3 24-FEB-09 1HHX 1 VERSN REVDAT 2 13-JUN-02 1HHX 1 CAVEAT REMARK MODRES ATOM REVDAT 2 2 TER HETATM CONECT REVDAT 1 30-MAY-02 1HHX 0 JRNL AUTH M.PETERSEN,K.BONDENSGAARD,J.WENGEL,J.P.JACOBSEN JRNL TITL LOCKED NUCLEIC ACID (LNA) RECOGNITION OF RNA: NMR JRNL TITL 2 SOLUTION STRUCTURES OF LNA:RNA HYBRIDS JRNL REF J.AM.CHEM.SOC. V. 124 5974 2002 JRNL REFN ISSN 0002-7863 JRNL PMID 12022830 JRNL DOI 10.1021/JA012288D REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.BONDENSGAARD,M.PETERSEN,S.K.SINGH,V.K.RAJWANSHI, REMARK 1 AUTH 2 R.KUMAR,J.WENGEL,J.P.JACOBSEN REMARK 1 TITL STRUCTURAL STUDIES OF LNA:RNA DUPLEXES BY NMR: REMARK 1 TITL 2 CONFORMATIONS AND IMPLICATIONS FOR RNASE H REMARK 1 TITL 3 ACTIVITY. REMARK 1 REF CHEMISTRY V. 6 2687 2000 REMARK 1 REFN ISSN 0947-6539 REMARK 1 PMID 10985717 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER6 REMARK 3 AUTHORS : CASE, DA, KOLLMAN, PA REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: A TOTAL OF 423 NOE DISTANCE REMARK 3 RESTRAINTS WERE OBTAINED FROM A FULL RELAXATION MATRIX REMARK 3 ANALYSIS WITH THE PROGRAM RANDMARDI. A FURTHER 58 NOE DISTANCE REMARK 3 RESTRAINTS WERE OBTAINED FROM NOESY IN H2O USING ISPA. 22 REMARK 3 WATSON-CRICK BASE PAIRING RESTRAINTS. REMARK 4 REMARK 4 1HHX COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 04-JAN-01. REMARK 100 THE PDBE ID CODE IS EBI-5713. 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 : 0.1 REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 0.7E-3M LNA1:RNA, REMARK 210 0.1M NACL, 5E-5M EDTA AND REMARK 210 1E-2M PHOSPHATE BUFFER IN REMARK 210 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : MARDIGRAS, AMBER AND REMARK 210 FELIX REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 34 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 11 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 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 1 DG A 3 C4' DG A 3 O4' -0.056 REMARK 500 4 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 5 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 6 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 7 DG A 3 C4' DG A 3 O4' -0.054 REMARK 500 8 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 9 DG A 3 C4' DG A 3 O4' -0.054 REMARK 500 10 DG A 3 C4' DG A 3 O4' -0.057 REMARK 500 11 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 12 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 13 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 14 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 15 DG A 3 C4' DG A 3 O4' -0.054 REMARK 500 16 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 17 DG A 3 C4' DG A 3 O4' -0.056 REMARK 500 19 DG A 3 C4' DG A 3 O4' -0.054 REMARK 500 20 DG A 3 C4' DG A 3 O4' -0.056 REMARK 500 21 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 24 DG A 3 C4' DG A 3 O4' -0.054 REMARK 500 25 DG A 3 C4' DG A 3 O4' -0.054 REMARK 500 26 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 27 DG A 3 C4' DG A 3 O4' -0.054 REMARK 500 28 DG A 3 C4' DG A 3 O4' -0.057 REMARK 500 29 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 30 DG A 3 C4' DG A 3 O4' -0.054 REMARK 500 31 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 32 DG A 3 C4' DG A 3 O4' -0.055 REMARK 500 33 DG A 3 C4' DG A 3 O4' -0.056 REMARK 500 34 DG A 3 C4' DG A 3 O4' -0.054 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 DC A 1 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES REMARK 500 1 DC A 1 O4' - C4' - C3' ANGL. DEV. = 4.8 DEGREES REMARK 500 1 DG A 3 O4' - C1' - C2' ANGL. DEV. = 3.4 DEGREES REMARK 500 1 DG A 3 O3' - P - O5' ANGL. DEV. = 18.3 DEGREES REMARK 500 1 DG A 3 O3' - P - OP1 ANGL. DEV. = 12.3 DEGREES REMARK 500 1 DG A 3 O3' - P - OP2 ANGL. DEV. = 12.3 DEGREES REMARK 500 1 DG A 3 C3' - O3' - P ANGL. DEV. = -22.3 DEGREES REMARK 500 1 DA A 4 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 1 DA A 6 O4' - C1' - C2' ANGL. DEV. = 4.0 DEGREES REMARK 500 1 DA A 6 O4' - C1' - N9 ANGL. DEV. = 4.1 DEGREES REMARK 500 1 DA A 6 O4' - C4' - C3' ANGL. DEV. = 4.6 DEGREES REMARK 500 1 DA A 6 O3' - P - O5' ANGL. DEV. = 21.5 DEGREES REMARK 500 1 DA A 6 C3' - O3' - P ANGL. DEV. = -12.6 DEGREES REMARK 500 1 DG A 8 C4' - C3' - C2' ANGL. DEV. = -6.8 DEGREES REMARK 500 1 DG A 8 O4' - C1' - N9 ANGL. DEV. = 6.1 DEGREES REMARK 500 1 DG A 8 O4' - C4' - C3' ANGL. DEV. = 4.0 DEGREES REMARK 500 1 DG A 8 O3' - P - O5' ANGL. DEV. = 21.5 DEGREES REMARK 500 1 DG A 8 O3' - P - OP1 ANGL. DEV. = 7.2 DEGREES REMARK 500 1 DG A 8 O3' - P - OP2 ANGL. DEV. = 7.2 DEGREES REMARK 500 1 DG A 8 C3' - O3' - P ANGL. DEV. = -14.2 DEGREES REMARK 500 1 DC A 9 O4' - C1' - N1 ANGL. DEV. = 4.7 DEGREES REMARK 500 1 G B 10 C4' - C3' - C2' ANGL. DEV. = -6.8 DEGREES REMARK 500 1 C B 11 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 1 A B 12 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 1 U B 13 O4' - C1' - N1 ANGL. DEV. = 6.4 DEGREES REMARK 500 1 U B 15 O4' - C1' - N1 ANGL. DEV. = 6.2 DEGREES REMARK 500 1 C B 16 O4' - C1' - N1 ANGL. DEV. = 5.1 DEGREES REMARK 500 1 A B 17 O4' - C1' - N9 ANGL. DEV. = 5.1 DEGREES REMARK 500 1 G B 18 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES REMARK 500 2 DC A 1 C3' - C2' - C1' ANGL. DEV. = 7.5 DEGREES REMARK 500 2 DC A 1 C5' - C4' - O4' ANGL. DEV. = 7.0 DEGREES REMARK 500 2 DC A 1 O4' - C1' - N1 ANGL. DEV. = 5.1 DEGREES REMARK 500 2 DC A 1 O4' - C4' - C3' ANGL. DEV. = 5.3 DEGREES REMARK 500 2 DG A 3 O3' - P - O5' ANGL. DEV. = 21.4 DEGREES REMARK 500 2 DG A 3 O3' - P - OP1 ANGL. DEV. = 8.3 DEGREES REMARK 500 2 DG A 3 O3' - P - OP2 ANGL. DEV. = 8.3 DEGREES REMARK 500 2 DG A 3 C3' - O3' - P ANGL. DEV. = -22.0 DEGREES REMARK 500 2 DA A 4 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 2 DA A 6 O4' - C1' - C2' ANGL. DEV. = 4.6 DEGREES REMARK 500 2 DA A 6 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES REMARK 500 2 DA A 6 O4' - C4' - C3' ANGL. DEV. = 4.6 DEGREES REMARK 500 2 DA A 6 O3' - P - O5' ANGL. DEV. = 23.0 DEGREES REMARK 500 2 DA A 6 C3' - O3' - P ANGL. DEV. = -11.0 DEGREES REMARK 500 2 DG A 8 C4' - C3' - C2' ANGL. DEV. = -6.7 DEGREES REMARK 500 2 DG A 8 O4' - C1' - N9 ANGL. DEV. = 6.3 DEGREES REMARK 500 2 DG A 8 O4' - C4' - C3' ANGL. DEV. = 4.0 DEGREES REMARK 500 2 DG A 8 O3' - P - O5' ANGL. DEV. = 21.7 DEGREES REMARK 500 2 DG A 8 O3' - P - OP1 ANGL. DEV. = 6.9 DEGREES REMARK 500 2 DG A 8 O3' - P - OP2 ANGL. DEV. = 6.9 DEGREES REMARK 500 2 DG A 8 C3' - O3' - P ANGL. DEV. = -15.3 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 1000 ANGLE DEVIATIONS REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 1 DG A 3 0.10 SIDE CHAIN REMARK 500 1 DC A 9 0.06 SIDE CHAIN REMARK 500 1 G B 10 0.09 SIDE CHAIN REMARK 500 1 A B 12 0.07 SIDE CHAIN REMARK 500 1 A B 14 0.07 SIDE CHAIN REMARK 500 1 A B 17 0.07 SIDE CHAIN REMARK 500 1 G B 18 0.08 SIDE CHAIN REMARK 500 2 DG A 3 0.08 SIDE CHAIN REMARK 500 2 DC A 9 0.07 SIDE CHAIN REMARK 500 2 G B 10 0.09 SIDE CHAIN REMARK 500 2 C B 11 0.06 SIDE CHAIN REMARK 500 2 A B 12 0.07 SIDE CHAIN REMARK 500 2 A B 17 0.06 SIDE CHAIN REMARK 500 2 G B 18 0.09 SIDE CHAIN REMARK 500 3 DG A 3 0.09 SIDE CHAIN REMARK 500 3 G B 10 0.08 SIDE CHAIN REMARK 500 3 A B 12 0.07 SIDE CHAIN REMARK 500 3 A B 17 0.07 SIDE CHAIN REMARK 500 3 G B 18 0.10 SIDE CHAIN REMARK 500 4 DG A 3 0.08 SIDE CHAIN REMARK 500 4 DC A 9 0.06 SIDE CHAIN REMARK 500 4 G B 10 0.09 SIDE CHAIN REMARK 500 4 A B 14 0.06 SIDE CHAIN REMARK 500 4 A B 17 0.06 SIDE CHAIN REMARK 500 4 G B 18 0.11 SIDE CHAIN REMARK 500 5 DG A 3 0.09 SIDE CHAIN REMARK 500 5 DC A 9 0.06 SIDE CHAIN REMARK 500 5 G B 10 0.08 SIDE CHAIN REMARK 500 5 A B 12 0.07 SIDE CHAIN REMARK 500 5 A B 17 0.09 SIDE CHAIN REMARK 500 5 G B 18 0.07 SIDE CHAIN REMARK 500 6 DG A 3 0.10 SIDE CHAIN REMARK 500 6 DC A 9 0.06 SIDE CHAIN REMARK 500 6 G B 10 0.09 SIDE CHAIN REMARK 500 6 A B 12 0.07 SIDE CHAIN REMARK 500 6 A B 17 0.07 SIDE CHAIN REMARK 500 6 G B 18 0.09 SIDE CHAIN REMARK 500 7 DG A 3 0.09 SIDE CHAIN REMARK 500 7 DG A 8 0.07 SIDE CHAIN REMARK 500 7 DC A 9 0.07 SIDE CHAIN REMARK 500 7 G B 10 0.09 SIDE CHAIN REMARK 500 7 A B 14 0.05 SIDE CHAIN REMARK 500 7 A B 17 0.06 SIDE CHAIN REMARK 500 7 G B 18 0.10 SIDE CHAIN REMARK 500 8 DG A 3 0.09 SIDE CHAIN REMARK 500 8 DC A 9 0.06 SIDE CHAIN REMARK 500 8 G B 10 0.09 SIDE CHAIN REMARK 500 8 A B 17 0.08 SIDE CHAIN REMARK 500 8 G B 18 0.09 SIDE CHAIN REMARK 500 9 DG A 3 0.09 SIDE CHAIN REMARK 500 9 DC A 9 0.07 SIDE CHAIN REMARK 500 9 G B 10 0.09 SIDE CHAIN REMARK 500 9 A B 14 0.06 SIDE CHAIN REMARK 500 9 G B 18 0.10 SIDE CHAIN REMARK 500 10 DG A 3 0.08 SIDE CHAIN REMARK 500 10 G B 10 0.10 SIDE CHAIN REMARK 500 10 C B 11 0.06 SIDE CHAIN REMARK 500 10 A B 12 0.07 SIDE CHAIN REMARK 500 10 A B 14 0.06 SIDE CHAIN REMARK 500 10 A B 17 0.07 SIDE CHAIN REMARK 500 10 G B 18 0.11 SIDE CHAIN REMARK 500 11 DG A 3 0.07 SIDE CHAIN REMARK 500 11 G B 10 0.09 SIDE CHAIN REMARK 500 11 A B 17 0.06 SIDE CHAIN REMARK 500 11 G B 18 0.09 SIDE CHAIN REMARK 500 12 DG A 3 0.08 SIDE CHAIN REMARK 500 12 DC A 9 0.06 SIDE CHAIN REMARK 500 12 G B 10 0.09 SIDE CHAIN REMARK 500 12 A B 12 0.07 SIDE CHAIN REMARK 500 12 A B 14 0.06 SIDE CHAIN REMARK 500 12 A B 17 0.07 SIDE CHAIN REMARK 500 12 G B 18 0.09 SIDE CHAIN REMARK 500 13 DG A 3 0.09 SIDE CHAIN REMARK 500 13 DC A 9 0.06 SIDE CHAIN REMARK 500 13 G B 10 0.09 SIDE CHAIN REMARK 500 13 A B 12 0.07 SIDE CHAIN REMARK 500 13 A B 14 0.06 SIDE CHAIN REMARK 500 13 A B 17 0.07 SIDE CHAIN REMARK 500 13 G B 18 0.07 SIDE CHAIN REMARK 500 14 DG A 3 0.08 SIDE CHAIN REMARK 500 14 DC A 9 0.06 SIDE CHAIN REMARK 500 14 G B 10 0.08 SIDE CHAIN REMARK 500 14 A B 12 0.07 SIDE CHAIN REMARK 500 14 A B 17 0.06 SIDE CHAIN REMARK 500 14 G B 18 0.09 SIDE CHAIN REMARK 500 15 DG A 3 0.08 SIDE CHAIN REMARK 500 15 DC A 9 0.07 SIDE CHAIN REMARK 500 15 G B 10 0.09 SIDE CHAIN REMARK 500 15 C B 11 0.06 SIDE CHAIN REMARK 500 15 A B 12 0.07 SIDE CHAIN REMARK 500 15 U B 13 0.06 SIDE CHAIN REMARK 500 15 A B 17 0.07 SIDE CHAIN REMARK 500 15 G B 18 0.10 SIDE CHAIN REMARK 500 16 DG A 3 0.08 SIDE CHAIN REMARK 500 16 DC A 9 0.06 SIDE CHAIN REMARK 500 16 G B 10 0.09 SIDE CHAIN REMARK 500 16 A B 12 0.07 SIDE CHAIN REMARK 500 16 A B 14 0.06 SIDE CHAIN REMARK 500 16 A B 17 0.08 SIDE CHAIN REMARK 500 16 G B 18 0.08 SIDE CHAIN REMARK 500 17 DG A 3 0.10 SIDE CHAIN REMARK 500 17 DC A 9 0.06 SIDE CHAIN REMARK 500 17 G B 10 0.08 SIDE CHAIN REMARK 500 17 A B 12 0.07 SIDE CHAIN REMARK 500 17 A B 14 0.06 SIDE CHAIN REMARK 500 17 A B 17 0.06 SIDE CHAIN REMARK 500 17 G B 18 0.10 SIDE CHAIN REMARK 500 18 DG A 3 0.09 SIDE CHAIN REMARK 500 18 DC A 9 0.06 SIDE CHAIN REMARK 500 18 G B 10 0.09 SIDE CHAIN REMARK 500 18 C B 11 0.06 SIDE CHAIN REMARK 500 18 A B 12 0.07 SIDE CHAIN REMARK 500 18 A B 17 0.07 SIDE CHAIN REMARK 500 18 G B 18 0.09 SIDE CHAIN REMARK 500 19 DG A 3 0.08 SIDE CHAIN REMARK 500 19 DC A 9 0.06 SIDE CHAIN REMARK 500 19 G B 10 0.09 SIDE CHAIN REMARK 500 19 A B 17 0.06 SIDE CHAIN REMARK 500 19 G B 18 0.09 SIDE CHAIN REMARK 500 20 DG A 3 0.10 SIDE CHAIN REMARK 500 20 DC A 9 0.07 SIDE CHAIN REMARK 500 20 G B 10 0.10 SIDE CHAIN REMARK 500 20 A B 17 0.08 SIDE CHAIN REMARK 500 20 G B 18 0.09 SIDE CHAIN REMARK 500 21 DG A 3 0.08 SIDE CHAIN REMARK 500 21 DA A 6 0.08 SIDE CHAIN REMARK 500 21 DC A 9 0.06 SIDE CHAIN REMARK 500 21 G B 10 0.10 SIDE CHAIN REMARK 500 21 A B 12 0.07 SIDE CHAIN REMARK 500 21 A B 17 0.06 SIDE CHAIN REMARK 500 21 G B 18 0.11 SIDE CHAIN REMARK 500 22 DG A 3 0.08 SIDE CHAIN REMARK 500 22 G B 10 0.09 SIDE CHAIN REMARK 500 22 A B 12 0.07 SIDE CHAIN REMARK 500 22 A B 17 0.07 SIDE CHAIN REMARK 500 22 G B 18 0.09 SIDE CHAIN REMARK 500 23 DA A 6 0.07 SIDE CHAIN REMARK 500 23 DC A 9 0.06 SIDE CHAIN REMARK 500 23 G B 10 0.10 SIDE CHAIN REMARK 500 23 C B 11 0.06 SIDE CHAIN REMARK 500 23 A B 12 0.07 SIDE CHAIN REMARK 500 23 A B 14 0.06 SIDE CHAIN REMARK 500 23 A B 17 0.09 SIDE CHAIN REMARK 500 23 G B 18 0.08 SIDE CHAIN REMARK 500 24 DG A 3 0.09 SIDE CHAIN REMARK 500 24 DC A 9 0.06 SIDE CHAIN REMARK 500 24 G B 10 0.10 SIDE CHAIN REMARK 500 24 C B 11 0.07 SIDE CHAIN REMARK 500 24 A B 17 0.07 SIDE CHAIN REMARK 500 24 G B 18 0.09 SIDE CHAIN REMARK 500 25 DG A 3 0.08 SIDE CHAIN REMARK 500 25 DA A 6 0.08 SIDE CHAIN REMARK 500 25 DC A 9 0.07 SIDE CHAIN REMARK 500 25 G B 10 0.11 SIDE CHAIN REMARK 500 25 C B 11 0.06 SIDE CHAIN REMARK 500 25 A B 14 0.07 SIDE CHAIN REMARK 500 25 G B 18 0.15 SIDE CHAIN REMARK 500 26 DG A 3 0.07 SIDE CHAIN REMARK 500 26 DA A 6 0.08 SIDE CHAIN REMARK 500 26 DG A 8 0.07 SIDE CHAIN REMARK 500 26 DC A 9 0.06 SIDE CHAIN REMARK 500 26 G B 10 0.10 SIDE CHAIN REMARK 500 26 A B 17 0.07 SIDE CHAIN REMARK 500 26 G B 18 0.08 SIDE CHAIN REMARK 500 27 DG A 3 0.07 SIDE CHAIN REMARK 500 27 G B 10 0.10 SIDE CHAIN REMARK 500 27 C B 11 0.07 SIDE CHAIN REMARK 500 27 U B 13 0.06 SIDE CHAIN REMARK 500 27 A B 17 0.07 SIDE CHAIN REMARK 500 27 G B 18 0.10 SIDE CHAIN REMARK 500 28 DG A 3 0.08 SIDE CHAIN REMARK 500 28 DA A 6 0.09 SIDE CHAIN REMARK 500 28 DC A 9 0.06 SIDE CHAIN REMARK 500 28 G B 10 0.10 SIDE CHAIN REMARK 500 28 A B 17 0.05 SIDE CHAIN REMARK 500 28 G B 18 0.07 SIDE CHAIN REMARK 500 29 DG A 3 0.07 SIDE CHAIN REMARK 500 29 DA A 6 0.08 SIDE CHAIN REMARK 500 29 DG A 8 0.07 SIDE CHAIN REMARK 500 29 DC A 9 0.07 SIDE CHAIN REMARK 500 29 G B 10 0.10 SIDE CHAIN REMARK 500 29 A B 17 0.08 SIDE CHAIN REMARK 500 29 G B 18 0.09 SIDE CHAIN REMARK 500 30 DG A 3 0.07 SIDE CHAIN REMARK 500 30 DG A 8 0.07 SIDE CHAIN REMARK 500 30 DC A 9 0.07 SIDE CHAIN REMARK 500 30 G B 10 0.11 SIDE CHAIN REMARK 500 30 C B 11 0.07 SIDE CHAIN REMARK 500 30 A B 14 0.06 SIDE CHAIN REMARK 500 30 A B 17 0.09 SIDE CHAIN REMARK 500 30 G B 18 0.10 SIDE CHAIN REMARK 500 31 DG A 3 0.08 SIDE CHAIN REMARK 500 31 DC A 9 0.09 SIDE CHAIN REMARK 500 31 G B 10 0.09 SIDE CHAIN REMARK 500 31 A B 17 0.07 SIDE CHAIN REMARK 500 31 G B 18 0.08 SIDE CHAIN REMARK 500 32 DG A 3 0.08 SIDE CHAIN REMARK 500 32 DA A 6 0.08 SIDE CHAIN REMARK 500 32 DC A 9 0.06 SIDE CHAIN REMARK 500 32 G B 10 0.10 SIDE CHAIN REMARK 500 32 C B 11 0.06 SIDE CHAIN REMARK 500 32 A B 17 0.07 SIDE CHAIN REMARK 500 32 G B 18 0.08 SIDE CHAIN REMARK 500 33 DG A 3 0.07 SIDE CHAIN REMARK 500 33 DA A 6 0.11 SIDE CHAIN REMARK 500 33 DC A 9 0.06 SIDE CHAIN REMARK 500 33 G B 10 0.11 SIDE CHAIN REMARK 500 33 C B 11 0.06 SIDE CHAIN REMARK 500 33 A B 17 0.08 SIDE CHAIN REMARK 500 33 G B 18 0.08 SIDE CHAIN REMARK 500 34 DG A 3 0.07 SIDE CHAIN REMARK 500 34 DC A 9 0.07 SIDE CHAIN REMARK 500 34 G B 10 0.10 SIDE CHAIN REMARK 500 34 A B 14 0.07 SIDE CHAIN REMARK 500 34 A B 17 0.07 SIDE CHAIN REMARK 500 34 G B 18 0.08 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HG9 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF DNA:RNA HYBRID REMARK 900 RELATED ID: 1HHW RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF LNA1:RNA HYBRID REMARK 999 REMARK 999 SEQUENCE REMARK 999 CHAIN A RESIDUES 2,5,7 ARE LOCKED NUCLEIC ACIDS OR REMARK 999 (1R,3R,4R,7S)-7-HYDROXY-1-HYDROXYMETHYL-3-(THYMIN-1-YL)- REMARK 999 2,5-DIOXABICYCLO[2.2.1]HEPTANE DBREF 1HHX A 1 9 PDB 1HHX 1HHX 1 9 DBREF 1HHX B 10 18 PDB 1HHX 1HHX 10 18 SEQRES 1 A 9 DC TLN DG DA TLN DA TLN DG DC SEQRES 1 B 9 G C A U A U C A G MODRES 1HHX TLN A 2 T THYMINE MODIFIED WITH OMB MODRES 1HHX TLN A 5 T THYMINE MODIFIED WITH OMB MODRES 1HHX TLN A 7 T THYMINE MODIFIED WITH OMB HET TLN A 2 34 HET TLN A 5 34 HET TLN A 7 34 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 HETNAM 3 TLN DIHYDROGEN PHOSPHATE FORMUL 1 TLN 3(C11 H15 N2 O9 P) LINK O3' DC A 1 P TLN A 2 1555 1555 1.61 LINK O3' TLN A 2 P DG A 3 1555 1555 1.61 LINK O3' DA A 4 P TLN A 5 1555 1555 1.63 LINK O3' TLN A 5 P DA A 6 1555 1555 1.61 LINK O3' DA A 6 P TLN A 7 1555 1555 1.62 LINK O3' TLN A 7 P DG A 8 1555 1555 1.61 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 25 2 Bytes