Header list of 1nao.pdb file
Complete list - 23 202 Bytes
HEADER DNA-RNA HYBRID 29-MAR-96 1NAO
TITLE SOLUTION STRUCTURE OF AN RNA 2'-O-METHYLATED RNA DUPLEX CONTAINING AN
TITLE 2 RNA/DNA HYBRID SEGMENT AT THE CENTER, NMR, MINIMIZED AVERAGE
TITLE 3 STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA (5'-R(*GP*GP*AP*GP*AP*UP*GP*AP*C)-3');
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: A SUBSTRATE OF RNASE H;
COMPND 6 MOL_ID: 2;
COMPND 7 MOLECULE: DNA/RNA (5'-R(*OMGP*OMUP*OMC)-D(P*AP*TP*CP*T)-
COMPND 8 R(P*OMCP*OMC)-3');
COMPND 9 CHAIN: B;
COMPND 10 ENGINEERED: YES;
COMPND 11 OTHER_DETAILS: A SUBSTRATE OF RNASE H
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 MOL_ID: 2;
SOURCE 4 SYNTHETIC: YES
KEYWDS DNA/RNA DUPLEX, DNA-RNA HYBRID
EXPDTA SOLUTION NMR
AUTHOR T.NISHIZAKI,S.IWAI,E.OHTSUKA,H.NAKAMURA
REVDAT 3 23-FEB-22 1NAO 1 REMARK LINK
REVDAT 2 24-FEB-09 1NAO 1 VERSN
REVDAT 1 27-JAN-97 1NAO 0
JRNL AUTH T.NISHIZAKI,S.IWAI,E.OHTSUKA,H.NAKAMURA
JRNL TITL SOLUTION STRUCTURE OF AN RNA.2'-O-METHYLATED RNA HYBRID
JRNL TITL 2 DUPLEX CONTAINING AN RNA.DNA HYBRID SEGMENT AT THE CENTER.
JRNL REF BIOCHEMISTRY V. 36 2577 1997
JRNL REFN ISSN 0006-2960
JRNL PMID 9054564
JRNL DOI 10.1021/BI962297C
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1NAO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000175209.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 313
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AMX600
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 10
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : AVERAGED
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: 00MM NACL, 50MM NA PHOSPHATE, 3MM EDTA
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: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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: 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 G A 1 C3' - C2' - C1' ANGL. DEV. = 5.2 DEGREES
REMARK 500 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 A A 3 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 G A 4 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 G A 4 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 A A 5 N7 - C8 - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 U A 6 C3' - C2' - C1' ANGL. DEV. = 5.3 DEGREES
REMARK 500 U A 6 O4' - C1' - N1 ANGL. DEV. = 4.9 DEGREES
REMARK 500 G A 7 C3' - C2' - C1' ANGL. DEV. = 4.9 DEGREES
REMARK 500 G A 7 N7 - C8 - N9 ANGL. DEV. = 4.4 DEGREES
REMARK 500 A A 8 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 DA B 13 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 DA B 13 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES
REMARK 500 DT B 14 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 DC B 15 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 DT B 16 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1NAO A 1 9 PDB 1NAO 1NAO 1 9
DBREF 1NAO B 10 18 PDB 1NAO 1NAO 10 18
SEQRES 1 A 9 G G A G A U G A C
SEQRES 1 B 9 OMG OMU OMC DA DT DC DT OMC OMC
MODRES 1NAO OMG B 10 G O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE
MODRES 1NAO OMU B 11 U O2'-METHYLURIDINE 5'-MONOPHOSPHATE
MODRES 1NAO OMC B 12 C O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE
MODRES 1NAO OMC B 17 C O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE
MODRES 1NAO OMC B 18 C O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE
HET OMG B 10 21
HET OMU B 11 21
HET OMC B 12 21
HET OMC B 17 21
HET OMC B 18 21
HETNAM OMG O2'-METHYLGUANOSINE-5'-MONOPHOSPHATE
HETNAM OMU O2'-METHYLURIDINE 5'-MONOPHOSPHATE
HETNAM OMC O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE
FORMUL 2 OMG C11 H16 N5 O8 P
FORMUL 2 OMU C10 H15 N2 O9 P
FORMUL 2 OMC 3(C10 H16 N3 O8 P)
LINK O3' OMG B 10 P OMU B 11 1555 1555 1.62
LINK O3' OMU B 11 P OMC B 12 1555 1555 1.61
LINK O3' OMC B 12 P DA B 13 1555 1555 1.62
LINK O3' DT B 16 P OMC B 17 1555 1555 1.62
LINK O3' OMC B 17 P OMC B 18 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
Complete list - 23 202 Bytes