Header list of 1hhw.pdb file
Complete list - r 25 2 Bytes
HEADER ANTISENSE 29-DEC-00 1HHW
TITLE SOLUTION STRUCTURE OF LNA1:RNA HYBRID
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5- D(*CP*TP*GP*AP*+TLNP*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, DNA, RNA, HYBRID, RNASE H
EXPDTA SOLUTION NMR
NUMMDL 40
AUTHOR M.PETERSEN,K.BONDENSGAARD,J.WENGEL,J.P.JACOBSEN
REVDAT 3 24-FEB-09 1HHW 1 VERSN
REVDAT 2 13-JUN-02 1HHW 1 ATOM
REVDAT 1 30-MAY-02 1HHW 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 M.PETERSEN,K.BONDENSGAARD,J.WENGEL,J.P.JACOBSEN
REMARK 1 TITL ORIGIN OF LOCKED NUCLEIC ACID HIGH-AFFINITY
REMARK 1 TITL 2 RECOGNITION OF RNA AS REVEALED BY HIGH-RESOLUTION
REMARK 1 TITL 3 NMR STRUCTURES
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 284 NOE DISTANCE
REMARK 3 RESTRAINTS WERE OBTAINED FROM A FULL RELAXATION MATRIX
REMARK 3 ANALYSIS WITH THE PROGRAM RANDMARDI. 16 J-COUPLING CONSTANT
REMARK 3 RESTRAINTS WERE DERIVED FROM A J-SCALED-1H-31P-HMBC SPECTRUM.
REMARK 3 22 WATSON-CRICK BASE PAIRING RESTRAINTS.
REMARK 4
REMARK 4 1HHW 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-5712.
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 : NULL
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 : 40
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 7
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 C B 11 C5 C B 11 C6 0.057
REMARK 500 1 C B 11 N1 C B 11 C6 0.046
REMARK 500 1 A B 14 O5' A B 14 C5' -0.416
REMARK 500 1 C B 16 O5' C B 16 C5' -0.276
REMARK 500 1 G B 18 C5' G B 18 C4' 0.044
REMARK 500 2 C B 11 C5 C B 11 C6 0.059
REMARK 500 2 C B 11 N1 C B 11 C6 0.047
REMARK 500 2 G B 18 C5' G B 18 C4' 0.046
REMARK 500 3 C B 11 C5 C B 11 C6 0.059
REMARK 500 3 C B 11 N1 C B 11 C6 0.046
REMARK 500 3 G B 18 C5' G B 18 C4' 0.045
REMARK 500 4 C B 11 C5 C B 11 C6 0.059
REMARK 500 4 C B 11 N1 C B 11 C6 0.046
REMARK 500 4 G B 18 C5' G B 18 C4' 0.045
REMARK 500 5 C B 11 C5 C B 11 C6 0.057
REMARK 500 5 C B 11 N1 C B 11 C6 0.046
REMARK 500 5 G B 18 C5' G B 18 C4' 0.047
REMARK 500 6 C B 11 C5 C B 11 C6 0.058
REMARK 500 6 C B 11 N1 C B 11 C6 0.045
REMARK 500 6 G B 18 C5' G B 18 C4' 0.045
REMARK 500 7 C B 11 C5 C B 11 C6 0.057
REMARK 500 7 C B 11 N1 C B 11 C6 0.047
REMARK 500 7 G B 18 C5' G B 18 C4' 0.045
REMARK 500 8 C B 11 C5 C B 11 C6 0.059
REMARK 500 8 C B 11 N1 C B 11 C6 0.045
REMARK 500 8 G B 18 C5' G B 18 C4' 0.044
REMARK 500 9 C B 11 C5 C B 11 C6 0.059
REMARK 500 9 C B 11 N1 C B 11 C6 0.047
REMARK 500 9 G B 18 C5' G B 18 C4' 0.046
REMARK 500 10 C B 11 C5 C B 11 C6 0.057
REMARK 500 10 C B 11 N1 C B 11 C6 0.048
REMARK 500 10 G B 18 C5' G B 18 C4' 0.045
REMARK 500 11 C B 11 C5 C B 11 C6 0.059
REMARK 500 11 C B 11 N1 C B 11 C6 0.046
REMARK 500 11 G B 18 C5' G B 18 C4' 0.045
REMARK 500 12 C B 11 C5 C B 11 C6 0.059
REMARK 500 12 C B 11 N1 C B 11 C6 0.045
REMARK 500 12 G B 18 C5' G B 18 C4' 0.045
REMARK 500 13 C B 11 C5 C B 11 C6 0.058
REMARK 500 13 C B 11 N1 C B 11 C6 0.047
REMARK 500 13 G B 18 C5' G B 18 C4' 0.045
REMARK 500 14 C B 11 C5 C B 11 C6 0.059
REMARK 500 14 C B 11 N1 C B 11 C6 0.045
REMARK 500 14 G B 18 C5' G B 18 C4' 0.046
REMARK 500 15 C B 11 C5 C B 11 C6 0.058
REMARK 500 15 C B 11 N1 C B 11 C6 0.046
REMARK 500 15 G B 18 C5' G B 18 C4' 0.046
REMARK 500 16 C B 11 C5 C B 11 C6 0.059
REMARK 500 16 C B 11 N1 C B 11 C6 0.047
REMARK 500 16 G B 18 C5' G B 18 C4' 0.046
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 DA A 4 C3' - C2' - C1' ANGL. DEV. = 10.0 DEGREES
REMARK 500 1 DA A 4 C4' - C3' - C2' ANGL. DEV. = -6.3 DEGREES
REMARK 500 1 DA A 4 O4' - C1' - C2' ANGL. DEV. = -6.2 DEGREES
REMARK 500 1 DA A 4 O4' - C4' - C3' ANGL. DEV. = 6.4 DEGREES
REMARK 500 1 DA A 6 C4' - C3' - C2' ANGL. DEV. = -5.6 DEGREES
REMARK 500 1 DA A 6 O4' - C1' - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 DA A 6 O3' - P - O5' ANGL. DEV. = 13.3 DEGREES
REMARK 500 1 DA A 6 O3' - P - OP1 ANGL. DEV. = 14.0 DEGREES
REMARK 500 1 DA A 6 O3' - P - OP2 ANGL. DEV. = 14.0 DEGREES
REMARK 500 1 DA A 6 C3' - O3' - P ANGL. DEV. = -13.7 DEGREES
REMARK 500 1 DT A 7 C5' - C4' - C3' ANGL. DEV. = -7.9 DEGREES
REMARK 500 1 DT A 7 C6 - C5 - C7 ANGL. DEV. = -3.9 DEGREES
REMARK 500 1 DT A 7 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 DT A 7 O4' - C4' - C3' ANGL. DEV. = 4.1 DEGREES
REMARK 500 1 DC A 9 C1' - O4' - C4' ANGL. DEV. = -4.3 DEGREES
REMARK 500 1 DC A 9 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 C B 11 C4 - C5 - C6 ANGL. DEV. = -3.2 DEGREES
REMARK 500 1 C B 11 C6 - N1 - C2 ANGL. DEV. = -2.5 DEGREES
REMARK 500 1 C B 11 O4' - C1' - N1 ANGL. DEV. = 8.2 DEGREES
REMARK 500 1 U B 13 O4' - C1' - N1 ANGL. DEV. = 5.6 DEGREES
REMARK 500 1 A B 14 O5' - C5' - C4' ANGL. DEV. = 27.5 DEGREES
REMARK 500 1 A B 14 P - O5' - C5' ANGL. DEV. = 25.8 DEGREES
REMARK 500 1 U B 15 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 C B 16 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 C B 16 O5' - C5' - C4' ANGL. DEV. = 11.4 DEGREES
REMARK 500 1 C B 16 P - O5' - C5' ANGL. DEV. = 14.3 DEGREES
REMARK 500 1 G B 18 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 DA A 4 C3' - C2' - C1' ANGL. DEV. = 9.8 DEGREES
REMARK 500 2 DA A 4 C4' - C3' - C2' ANGL. DEV. = -5.7 DEGREES
REMARK 500 2 DA A 4 O4' - C1' - C2' ANGL. DEV. = -5.2 DEGREES
REMARK 500 2 DA A 4 O4' - C4' - C3' ANGL. DEV. = 6.3 DEGREES
REMARK 500 2 DA A 6 C4' - C3' - C2' ANGL. DEV. = -6.0 DEGREES
REMARK 500 2 DA A 6 O4' - C1' - N9 ANGL. DEV. = 4.1 DEGREES
REMARK 500 2 DA A 6 O3' - P - O5' ANGL. DEV. = 14.3 DEGREES
REMARK 500 2 DA A 6 O3' - P - OP1 ANGL. DEV. = 13.2 DEGREES
REMARK 500 2 DA A 6 O3' - P - OP2 ANGL. DEV. = 13.2 DEGREES
REMARK 500 2 DA A 6 C3' - O3' - P ANGL. DEV. = -15.4 DEGREES
REMARK 500 2 DT A 7 C5' - C4' - C3' ANGL. DEV. = -8.1 DEGREES
REMARK 500 2 DT A 7 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES
REMARK 500 2 DT A 7 O4' - C4' - C3' ANGL. DEV. = 4.1 DEGREES
REMARK 500 2 DC A 9 C1' - O4' - C4' ANGL. DEV. = -4.4 DEGREES
REMARK 500 2 DC A 9 O4' - C1' - N1 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 C B 11 C4 - C5 - C6 ANGL. DEV. = -3.2 DEGREES
REMARK 500 2 C B 11 C5' - C4' - O4' ANGL. DEV. = 5.6 DEGREES
REMARK 500 2 C B 11 C6 - N1 - C2 ANGL. DEV. = -2.5 DEGREES
REMARK 500 2 C B 11 O4' - C1' - N1 ANGL. DEV. = 8.4 DEGREES
REMARK 500 2 C B 11 O4' - C4' - C3' ANGL. DEV. = -5.0 DEGREES
REMARK 500 2 U B 13 O4' - C1' - N1 ANGL. DEV. = 5.7 DEGREES
REMARK 500 2 U B 15 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 C B 16 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 917 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 DT A 7 0.07 SIDE CHAIN
REMARK 500 1 DC A 9 0.06 SIDE CHAIN
REMARK 500 1 A B 12 0.06 SIDE CHAIN
REMARK 500 1 A B 14 0.08 SIDE CHAIN
REMARK 500 1 A B 17 0.08 SIDE CHAIN
REMARK 500 2 DC A 9 0.06 SIDE CHAIN
REMARK 500 2 A B 12 0.06 SIDE CHAIN
REMARK 500 2 A B 14 0.07 SIDE CHAIN
REMARK 500 2 A B 17 0.08 SIDE CHAIN
REMARK 500 3 DT A 7 0.06 SIDE CHAIN
REMARK 500 3 DC A 9 0.06 SIDE CHAIN
REMARK 500 3 A B 12 0.06 SIDE CHAIN
REMARK 500 3 A B 14 0.07 SIDE CHAIN
REMARK 500 3 A B 17 0.08 SIDE CHAIN
REMARK 500 4 DT A 7 0.07 SIDE CHAIN
REMARK 500 4 DG A 8 0.05 SIDE CHAIN
REMARK 500 4 DC A 9 0.06 SIDE CHAIN
REMARK 500 4 A B 12 0.06 SIDE CHAIN
REMARK 500 4 A B 14 0.07 SIDE CHAIN
REMARK 500 4 A B 17 0.09 SIDE CHAIN
REMARK 500 5 DA A 6 0.06 SIDE CHAIN
REMARK 500 5 DT A 7 0.07 SIDE CHAIN
REMARK 500 5 DC A 9 0.06 SIDE CHAIN
REMARK 500 5 A B 12 0.06 SIDE CHAIN
REMARK 500 5 A B 14 0.07 SIDE CHAIN
REMARK 500 5 A B 17 0.08 SIDE CHAIN
REMARK 500 6 DT A 7 0.07 SIDE CHAIN
REMARK 500 6 DC A 9 0.06 SIDE CHAIN
REMARK 500 6 A B 12 0.06 SIDE CHAIN
REMARK 500 6 A B 14 0.08 SIDE CHAIN
REMARK 500 6 A B 17 0.07 SIDE CHAIN
REMARK 500 7 DC A 9 0.06 SIDE CHAIN
REMARK 500 7 A B 12 0.07 SIDE CHAIN
REMARK 500 7 A B 14 0.08 SIDE CHAIN
REMARK 500 7 A B 17 0.07 SIDE CHAIN
REMARK 500 8 DT A 7 0.06 SIDE CHAIN
REMARK 500 8 DC A 9 0.06 SIDE CHAIN
REMARK 500 8 A B 12 0.06 SIDE CHAIN
REMARK 500 8 A B 14 0.07 SIDE CHAIN
REMARK 500 8 A B 17 0.08 SIDE CHAIN
REMARK 500 9 DT A 7 0.08 SIDE CHAIN
REMARK 500 9 A B 12 0.07 SIDE CHAIN
REMARK 500 9 A B 14 0.07 SIDE CHAIN
REMARK 500 9 A B 17 0.08 SIDE CHAIN
REMARK 500 10 DT A 2 0.07 SIDE CHAIN
REMARK 500 10 DT A 7 0.08 SIDE CHAIN
REMARK 500 10 DC A 9 0.06 SIDE CHAIN
REMARK 500 10 A B 12 0.07 SIDE CHAIN
REMARK 500 10 U B 13 0.06 SIDE CHAIN
REMARK 500 10 A B 14 0.08 SIDE CHAIN
REMARK 500 10 A B 17 0.10 SIDE CHAIN
REMARK 500 11 DT A 7 0.06 SIDE CHAIN
REMARK 500 11 DC A 9 0.07 SIDE CHAIN
REMARK 500 11 A B 14 0.08 SIDE CHAIN
REMARK 500 11 A B 17 0.08 SIDE CHAIN
REMARK 500 12 DT A 7 0.06 SIDE CHAIN
REMARK 500 12 DC A 9 0.06 SIDE CHAIN
REMARK 500 12 A B 12 0.06 SIDE CHAIN
REMARK 500 12 A B 14 0.08 SIDE CHAIN
REMARK 500 12 A B 17 0.09 SIDE CHAIN
REMARK 500 13 DT A 7 0.07 SIDE CHAIN
REMARK 500 13 DG A 8 0.05 SIDE CHAIN
REMARK 500 13 A B 12 0.06 SIDE CHAIN
REMARK 500 13 A B 14 0.07 SIDE CHAIN
REMARK 500 13 A B 17 0.08 SIDE CHAIN
REMARK 500 14 DT A 7 0.07 SIDE CHAIN
REMARK 500 14 DC A 9 0.06 SIDE CHAIN
REMARK 500 14 A B 12 0.06 SIDE CHAIN
REMARK 500 14 A B 14 0.08 SIDE CHAIN
REMARK 500 14 A B 17 0.07 SIDE CHAIN
REMARK 500 15 DT A 7 0.07 SIDE CHAIN
REMARK 500 15 DC A 9 0.06 SIDE CHAIN
REMARK 500 15 A B 14 0.08 SIDE CHAIN
REMARK 500 15 A B 17 0.07 SIDE CHAIN
REMARK 500 16 DT A 7 0.06 SIDE CHAIN
REMARK 500 16 DC A 9 0.06 SIDE CHAIN
REMARK 500 16 A B 12 0.06 SIDE CHAIN
REMARK 500 16 A B 14 0.08 SIDE CHAIN
REMARK 500 16 A B 17 0.07 SIDE CHAIN
REMARK 500 17 DT A 7 0.07 SIDE CHAIN
REMARK 500 17 DC A 9 0.06 SIDE CHAIN
REMARK 500 17 A B 12 0.06 SIDE CHAIN
REMARK 500 17 A B 14 0.08 SIDE CHAIN
REMARK 500 17 A B 17 0.09 SIDE CHAIN
REMARK 500 18 DT A 7 0.07 SIDE CHAIN
REMARK 500 18 A B 12 0.06 SIDE CHAIN
REMARK 500 18 A B 14 0.07 SIDE CHAIN
REMARK 500 18 A B 17 0.09 SIDE CHAIN
REMARK 500 19 DT A 7 0.07 SIDE CHAIN
REMARK 500 19 DC A 9 0.06 SIDE CHAIN
REMARK 500 19 A B 12 0.06 SIDE CHAIN
REMARK 500 19 A B 14 0.08 SIDE CHAIN
REMARK 500 19 A B 17 0.08 SIDE CHAIN
REMARK 500 20 DT A 7 0.07 SIDE CHAIN
REMARK 500 20 DC A 9 0.06 SIDE CHAIN
REMARK 500 20 A B 14 0.08 SIDE CHAIN
REMARK 500 20 U B 15 0.07 SIDE CHAIN
REMARK 500 20 A B 17 0.08 SIDE CHAIN
REMARK 500 21 DT A 7 0.06 SIDE CHAIN
REMARK 500 21 DC A 9 0.07 SIDE CHAIN
REMARK 500 21 A B 14 0.08 SIDE CHAIN
REMARK 500 21 A B 17 0.08 SIDE CHAIN
REMARK 500 22 DT A 7 0.07 SIDE CHAIN
REMARK 500 22 DC A 9 0.06 SIDE CHAIN
REMARK 500 22 A B 12 0.06 SIDE CHAIN
REMARK 500 22 A B 14 0.07 SIDE CHAIN
REMARK 500 22 A B 17 0.07 SIDE CHAIN
REMARK 500 23 DT A 7 0.08 SIDE CHAIN
REMARK 500 23 DC A 9 0.06 SIDE CHAIN
REMARK 500 23 A B 12 0.07 SIDE CHAIN
REMARK 500 23 A B 14 0.08 SIDE CHAIN
REMARK 500 23 A B 17 0.07 SIDE CHAIN
REMARK 500 24 DT A 7 0.07 SIDE CHAIN
REMARK 500 24 DC A 9 0.06 SIDE CHAIN
REMARK 500 24 A B 12 0.06 SIDE CHAIN
REMARK 500 24 A B 14 0.08 SIDE CHAIN
REMARK 500 24 U B 15 0.07 SIDE CHAIN
REMARK 500 24 A B 17 0.08 SIDE CHAIN
REMARK 500 25 DT A 7 0.08 SIDE CHAIN
REMARK 500 25 A B 12 0.07 SIDE CHAIN
REMARK 500 25 A B 14 0.08 SIDE CHAIN
REMARK 500 25 U B 15 0.07 SIDE CHAIN
REMARK 500 25 A B 17 0.09 SIDE CHAIN
REMARK 500 26 DT A 7 0.08 SIDE CHAIN
REMARK 500 26 DC A 9 0.06 SIDE CHAIN
REMARK 500 26 A B 12 0.06 SIDE CHAIN
REMARK 500 26 A B 14 0.08 SIDE CHAIN
REMARK 500 26 U B 15 0.07 SIDE CHAIN
REMARK 500 26 A B 17 0.09 SIDE CHAIN
REMARK 500 27 DT A 7 0.07 SIDE CHAIN
REMARK 500 27 DC A 9 0.06 SIDE CHAIN
REMARK 500 27 A B 12 0.06 SIDE CHAIN
REMARK 500 27 A B 14 0.07 SIDE CHAIN
REMARK 500 27 A B 17 0.08 SIDE CHAIN
REMARK 500 28 DT A 7 0.08 SIDE CHAIN
REMARK 500 28 DC A 9 0.06 SIDE CHAIN
REMARK 500 28 A B 12 0.07 SIDE CHAIN
REMARK 500 28 A B 14 0.07 SIDE CHAIN
REMARK 500 28 A B 17 0.08 SIDE CHAIN
REMARK 500 29 DT A 7 0.08 SIDE CHAIN
REMARK 500 29 DC A 9 0.06 SIDE CHAIN
REMARK 500 29 A B 12 0.06 SIDE CHAIN
REMARK 500 29 A B 14 0.08 SIDE CHAIN
REMARK 500 29 A B 17 0.08 SIDE CHAIN
REMARK 500 30 DT A 7 0.07 SIDE CHAIN
REMARK 500 30 DC A 9 0.06 SIDE CHAIN
REMARK 500 30 A B 12 0.07 SIDE CHAIN
REMARK 500 30 A B 14 0.07 SIDE CHAIN
REMARK 500 30 A B 17 0.09 SIDE CHAIN
REMARK 500 31 DT A 2 0.07 SIDE CHAIN
REMARK 500 31 DT A 7 0.08 SIDE CHAIN
REMARK 500 31 DC A 9 0.07 SIDE CHAIN
REMARK 500 31 A B 12 0.06 SIDE CHAIN
REMARK 500 31 A B 14 0.08 SIDE CHAIN
REMARK 500 31 A B 17 0.08 SIDE CHAIN
REMARK 500 32 DT A 7 0.07 SIDE CHAIN
REMARK 500 32 DC A 9 0.06 SIDE CHAIN
REMARK 500 32 A B 12 0.06 SIDE CHAIN
REMARK 500 32 A B 14 0.07 SIDE CHAIN
REMARK 500 32 A B 17 0.08 SIDE CHAIN
REMARK 500 33 DT A 7 0.07 SIDE CHAIN
REMARK 500 33 DC A 9 0.06 SIDE CHAIN
REMARK 500 33 A B 12 0.06 SIDE CHAIN
REMARK 500 33 A B 14 0.09 SIDE CHAIN
REMARK 500 33 U B 15 0.07 SIDE CHAIN
REMARK 500 33 A B 17 0.08 SIDE CHAIN
REMARK 500 34 DT A 7 0.07 SIDE CHAIN
REMARK 500 34 DC A 9 0.06 SIDE CHAIN
REMARK 500 34 A B 12 0.06 SIDE CHAIN
REMARK 500 34 A B 14 0.07 SIDE CHAIN
REMARK 500 34 A B 17 0.07 SIDE CHAIN
REMARK 500 35 DT A 7 0.08 SIDE CHAIN
REMARK 500 35 DC A 9 0.06 SIDE CHAIN
REMARK 500 35 A B 12 0.06 SIDE CHAIN
REMARK 500 35 A B 14 0.08 SIDE CHAIN
REMARK 500 35 A B 17 0.07 SIDE CHAIN
REMARK 500 36 DT A 7 0.08 SIDE CHAIN
REMARK 500 36 DC A 9 0.06 SIDE CHAIN
REMARK 500 36 A B 12 0.07 SIDE CHAIN
REMARK 500 36 A B 14 0.08 SIDE CHAIN
REMARK 500 36 A B 17 0.08 SIDE CHAIN
REMARK 500 37 DT A 7 0.07 SIDE CHAIN
REMARK 500 37 A B 12 0.06 SIDE CHAIN
REMARK 500 37 A B 14 0.07 SIDE CHAIN
REMARK 500 37 A B 17 0.07 SIDE CHAIN
REMARK 500 38 DT A 7 0.07 SIDE CHAIN
REMARK 500 38 DC A 9 0.06 SIDE CHAIN
REMARK 500 38 A B 12 0.07 SIDE CHAIN
REMARK 500 38 A B 14 0.07 SIDE CHAIN
REMARK 500 38 U B 15 0.07 SIDE CHAIN
REMARK 500 38 A B 17 0.08 SIDE CHAIN
REMARK 500 39 DT A 7 0.08 SIDE CHAIN
REMARK 500 39 DC A 9 0.06 SIDE CHAIN
REMARK 500 39 A B 14 0.08 SIDE CHAIN
REMARK 500 39 U B 15 0.07 SIDE CHAIN
REMARK 500 39 A B 17 0.07 SIDE CHAIN
REMARK 500 40 DT A 7 0.07 SIDE CHAIN
REMARK 500 40 DC A 9 0.06 SIDE CHAIN
REMARK 500 40 A B 12 0.06 SIDE CHAIN
REMARK 500 40 A B 14 0.07 SIDE CHAIN
REMARK 500 40 A B 17 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: 1HHX RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF LNA3:RNA HYBRID
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 CHAIN A RESIDUE 5 IS A LOCKED NUCLEIC ACID OR (1R,3R,4R,7S)
REMARK 999 -7-HYDROXY-1-HYDROXYMETHYL-3-(THYMIN-1-YL)-2,5-DIOXABICYCL
REMARK 999 O[2.2.1]HEPTANE
DBREF 1HHW A 1 9 PDB 1HHW 1HHW 1 9
DBREF 1HHW B 10 18 PDB 1HHW 1HHW 10 18
SEQRES 1 A 9 DC DT DG DA TLN DA DT DG DC
SEQRES 1 B 9 G C A U A U C A G
HET TLN A 5 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 C11 H15 N2 O9 P
LINK O3' DA A 4 P TLN A 5 1555 1555 1.64
LINK O3' TLN A 5 P DA A 6 1555 1555 1.62
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 2
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