Header list of 1dxn.pdb file
Complete list - 15 20 Bytes
HEADER DNA-RNA HYBRID 11-JAN-00 1DXN
TITLE THE SOLUTION STRUCTURE OF [D(CGC)R(AAA)D(TTTGCG)]2: HYBRID JUNCTIONS
TITLE 2 FLANKED BY DNA DUPLEXES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA/RNA (5'-D(*CP*GP*CP)-R(*AP*AP*AP)-D(*TP*TP*TP*GP*CP*G)-
COMPND 3 3');
COMPND 4 CHAIN: A, B;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS DNA-RNA HYBRID, DNA/RNA CHIMERIC HYBRID DUPLEX, DNA/RNA HYBRID,
KEYWDS 2 CHIMERIC DUPLEX
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR S.-T.HSU,M.-T.CHOU,J.-W.CHENG
REVDAT 4 15-JAN-20 1DXN 1 REMARK
REVDAT 3 24-FEB-09 1DXN 1 VERSN
REVDAT 2 19-JUL-00 1DXN 1 ATOM
REVDAT 1 11-APR-00 1DXN 0
JRNL AUTH S.-T.HSU,M.-T.CHOU,S.-H.CHOU,W.-C.HUANG,J.-W.CHENG
JRNL TITL HYDRATION OF [D(CGC)R(AAA)D(TTTGCG)]2
JRNL REF J.MOL.BIOL. V. 295 1129 2000
JRNL REFN ISSN 0022-2836
JRNL PMID 10653692
JRNL DOI 10.1006/JMBI.1999.3388
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1DXN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 11-JAN-00.
REMARK 100 THE DEPOSITION ID IS D_1290004525.
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 : 1 ATM
REMARK 210 SAMPLE CONTENTS : 100% D2O OR 90% H2O:10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : THE STRUCTURE WAS DETERMINED
REMARK 210 FROM 2D NMR SPECTROSCOPY WITH
REMARK 210 UNLABELED SAMPLE
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR
REMARK 210 METHOD USED : SA, MD, MATRIX RELAXATION
REMARK 210 REFINEMENT
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
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 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 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 2 N7 DG A 2 C8 0.045
REMARK 500 1 DT A 7 C5 DT A 7 C7 0.042
REMARK 500 1 DT A 8 C5 DT A 8 C7 0.044
REMARK 500 1 DG A 10 N7 DG A 10 C8 0.047
REMARK 500 1 DG A 12 N7 DG A 12 C8 0.045
REMARK 500 1 DC B 13 C3' DC B 13 C2' 0.088
REMARK 500 1 DG B 14 N7 DG B 14 C8 0.048
REMARK 500 1 DT B 19 C5 DT B 19 C7 0.042
REMARK 500 1 DT B 20 C5 DT B 20 C7 0.044
REMARK 500 1 DT B 21 C5 DT B 21 C7 0.037
REMARK 500 1 DG B 22 N7 DG B 22 C8 0.047
REMARK 500 1 DG B 24 N7 DG B 24 C8 0.043
REMARK 500 2 DC A 1 C3' DC A 1 C2' 0.082
REMARK 500 2 DG A 2 N7 DG A 2 C8 0.048
REMARK 500 2 DT A 7 C5 DT A 7 C7 0.043
REMARK 500 2 DT A 8 C5 DT A 8 C7 0.043
REMARK 500 2 DT A 9 C5 DT A 9 C7 0.037
REMARK 500 2 DG A 10 N7 DG A 10 C8 0.048
REMARK 500 2 DG A 12 N7 DG A 12 C8 0.041
REMARK 500 2 DC B 13 C3' DC B 13 C2' 0.087
REMARK 500 2 DG B 14 N7 DG B 14 C8 0.046
REMARK 500 2 DT B 19 C5 DT B 19 C7 0.045
REMARK 500 2 DT B 20 C5 DT B 20 C7 0.044
REMARK 500 2 DT B 21 C5 DT B 21 C7 0.037
REMARK 500 2 DG B 22 N7 DG B 22 C8 0.048
REMARK 500 2 DG B 24 N7 DG B 24 C8 0.043
REMARK 500 3 DC A 1 C3' DC A 1 C2' 0.088
REMARK 500 3 DG A 2 N7 DG A 2 C8 0.046
REMARK 500 3 DT A 7 C5 DT A 7 C7 0.043
REMARK 500 3 DT A 8 C5 DT A 8 C7 0.044
REMARK 500 3 DT A 9 C5 DT A 9 C7 0.037
REMARK 500 3 DG A 10 N7 DG A 10 C8 0.046
REMARK 500 3 DG A 12 N7 DG A 12 C8 0.044
REMARK 500 3 DC B 13 C3' DC B 13 C2' 0.081
REMARK 500 3 DG B 14 N7 DG B 14 C8 0.048
REMARK 500 3 A B 16 N7 A B 16 C8 0.044
REMARK 500 3 DT B 19 C5 DT B 19 C7 0.041
REMARK 500 3 DT B 20 C5 DT B 20 C7 0.044
REMARK 500 3 DT B 21 C5 DT B 21 C7 0.037
REMARK 500 3 DG B 22 N7 DG B 22 C8 0.046
REMARK 500 3 DG B 24 N7 DG B 24 C8 0.040
REMARK 500 4 DC A 1 C3' DC A 1 C2' 0.085
REMARK 500 4 DG A 2 N7 DG A 2 C8 0.048
REMARK 500 4 DT A 7 C5 DT A 7 C7 0.042
REMARK 500 4 DT A 8 C5 DT A 8 C7 0.043
REMARK 500 4 DG A 10 N7 DG A 10 C8 0.047
REMARK 500 4 DG A 12 N7 DG A 12 C8 0.043
REMARK 500 4 DC B 13 C3' DC B 13 C2' 0.080
REMARK 500 4 DG B 14 N7 DG B 14 C8 0.046
REMARK 500 4 DT B 19 C5 DT B 19 C7 0.043
REMARK 500
REMARK 500 THIS ENTRY HAS 133 BOND DEVIATIONS.
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. = 4.1 DEGREES
REMARK 500 1 DG A 2 O4' - C1' - C2' ANGL. DEV. = -6.3 DEGREES
REMARK 500 1 DG A 2 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 DC A 3 N1 - C2 - O2 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 A A 4 C1' - O4' - C4' ANGL. DEV. = -6.1 DEGREES
REMARK 500 1 A A 4 O4' - C1' - N9 ANGL. DEV. = 8.6 DEGREES
REMARK 500 1 A A 6 O4' - C1' - N9 ANGL. DEV. = 6.2 DEGREES
REMARK 500 1 DT A 7 O4' - C1' - N1 ANGL. DEV. = 3.1 DEGREES
REMARK 500 1 DT A 9 C6 - C5 - C7 ANGL. DEV. = -4.0 DEGREES
REMARK 500 1 DG A 10 O4' - C1' - C2' ANGL. DEV. = -7.1 DEGREES
REMARK 500 1 DG A 10 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES
REMARK 500 1 DG A 12 O4' - C1' - C2' ANGL. DEV. = -5.4 DEGREES
REMARK 500 1 DG A 12 O4' - C1' - N9 ANGL. DEV. = 5.4 DEGREES
REMARK 500 1 DG B 14 O4' - C1' - C2' ANGL. DEV. = -5.8 DEGREES
REMARK 500 1 DG B 14 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 DG B 14 C3' - O3' - P ANGL. DEV. = 8.2 DEGREES
REMARK 500 1 DC B 15 N1 - C2 - O2 ANGL. DEV. = 4.1 DEGREES
REMARK 500 1 A B 16 C1' - O4' - C4' ANGL. DEV. = -5.5 DEGREES
REMARK 500 1 A B 16 O4' - C1' - N9 ANGL. DEV. = 7.2 DEGREES
REMARK 500 1 A B 18 O4' - C1' - N9 ANGL. DEV. = 6.2 DEGREES
REMARK 500 1 DT B 19 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES
REMARK 500 1 DT B 21 C6 - C5 - C7 ANGL. DEV. = -3.8 DEGREES
REMARK 500 1 DG B 22 O4' - C1' - C2' ANGL. DEV. = -6.7 DEGREES
REMARK 500 1 DG B 22 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES
REMARK 500 1 DC B 23 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 1 DG B 24 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 DC A 1 O4' - C1' - N1 ANGL. DEV. = 5.0 DEGREES
REMARK 500 2 DG A 2 O4' - C1' - C2' ANGL. DEV. = -6.2 DEGREES
REMARK 500 2 DG A 2 O4' - C1' - N9 ANGL. DEV. = 3.6 DEGREES
REMARK 500 2 DG A 2 C3' - O3' - P ANGL. DEV. = 8.4 DEGREES
REMARK 500 2 DC A 3 N1 - C2 - O2 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 A A 4 C1' - O4' - C4' ANGL. DEV. = -6.2 DEGREES
REMARK 500 2 A A 4 O4' - C1' - N9 ANGL. DEV. = 8.8 DEGREES
REMARK 500 2 A A 6 O4' - C1' - N9 ANGL. DEV. = 6.2 DEGREES
REMARK 500 2 DT A 7 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES
REMARK 500 2 DT A 9 C6 - C5 - C7 ANGL. DEV. = -3.9 DEGREES
REMARK 500 2 DG A 10 O4' - C1' - C2' ANGL. DEV. = -6.6 DEGREES
REMARK 500 2 DG A 10 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500 2 DC B 13 N1 - C2 - O2 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 DG B 14 O4' - C1' - C2' ANGL. DEV. = -6.5 DEGREES
REMARK 500 2 DG B 14 O4' - C1' - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 DC B 15 N1 - C2 - O2 ANGL. DEV. = 4.1 DEGREES
REMARK 500 2 A B 16 C1' - O4' - C4' ANGL. DEV. = -5.8 DEGREES
REMARK 500 2 A B 16 O4' - C1' - N9 ANGL. DEV. = 8.0 DEGREES
REMARK 500 2 A B 18 O4' - C1' - N9 ANGL. DEV. = 5.9 DEGREES
REMARK 500 2 DT B 19 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES
REMARK 500 2 DT B 21 C6 - C5 - C7 ANGL. DEV. = -3.9 DEGREES
REMARK 500 2 DG B 22 O4' - C1' - C2' ANGL. DEV. = -7.0 DEGREES
REMARK 500 2 DG B 22 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES
REMARK 500 2 DC B 23 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 264 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 4618 RELATED DB: BMRB
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 RESIDUES 4, 5, 6 IN CHAIN A AND 16, 17, 18 IN CHAIN B ARE
REMARK 999 ARE RNA, THE REMAINING RESIDUES ARE ALL DNA
DBREF 1DXN A 1 12 PDB 1DXN 1DXN 1 12
DBREF 1DXN B 13 24 PDB 1DXN 1DXN 13 24
SEQRES 1 A 12 DC DG DC A A A DT DT DT DG DC DG
SEQRES 1 B 12 DC DG DC A A A DT DT DT DG DC DG
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 - 15 20 Bytes