Header list of 132d.pdb file
Complete list - 16 202 Bytes
HEADER DNA 24-JUN-93 132D
TITLE SOLUTION STRUCTURE OF THE TN AN DNA DUPLEX GCCGTTAACGGC CONTAINING THE
TITLE 2 HPA I RESTRICTION SITE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA (5'-D(P*GP*CP*CP*GP*TP*TP*AP*AP*CP*GP*GP*C)-3');
COMPND 3 CHAIN: A, B;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED
KEYWDS DOUBLE HELIX, HPA 1 RESTRICTION SITE, DNA
EXPDTA SOLUTION NMR
AUTHOR S.-G.KIM,B.R.REID
REVDAT 4 16-FEB-22 132D 1 REMARK
REVDAT 3 24-FEB-09 132D 1 VERSN
REVDAT 2 01-APR-03 132D 1 JRNL
REVDAT 1 31-JAN-94 132D 0
JRNL AUTH S.G.KIM,B.R.REID
JRNL TITL SOLUTION STRUCTURE OF THE TNAN DNA DUPLEX GCCGTTAACGCG
JRNL TITL 2 CONTAINING THE HPAI RESTRICTION SITE.
JRNL REF BIOCHEMISTRY V. 31 12103 1992
JRNL REFN ISSN 0006-2960
JRNL PMID 1457407
JRNL DOI 10.1021/BI00163A020
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DSPACE
REMARK 3 AUTHORS : HARE RESEARCH, INC.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NOE DISTANCE CONSTRAINTS. THE R VALUE
REMARK 3 IS 0.18 FOR 80 INTERPROTON DISTANCES.
REMARK 4
REMARK 4 132D COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB.
REMARK 100 THE DEPOSITION ID IS D_1000170077.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : DISTANCE GEOMETRY
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 1
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: 2-D NMR SPECTRA WERE USED
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 400
REMARK 400 COMPOUND
REMARK 400 THE DNA DODECAMER CONTAINS THE HPA I RESTRICTION SEQUENCE
REMARK 400 D(GCCGTT:AACGGC)=2=.
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 DG A 1 P DG A 1 OP2 0.117
REMARK 500 DG A 1 P DG A 1 OP3 -0.127
REMARK 500 DG A 1 C2' DG A 1 C1' -0.083
REMARK 500 DC A 2 O3' DC A 3 P -0.082
REMARK 500 DG A 4 O3' DG A 4 C3' -0.036
REMARK 500 DG A 4 O3' DT A 5 P -0.132
REMARK 500 DT A 5 O4' DT A 5 C1' 0.087
REMARK 500 DT A 5 C5 DT A 5 C6 0.050
REMARK 500 DT A 5 O3' DT A 6 P -0.094
REMARK 500 DT A 6 O4' DT A 6 C1' 0.066
REMARK 500 DT A 6 C5 DT A 6 C6 0.048
REMARK 500 DT A 6 O3' DA A 7 P -0.115
REMARK 500 DC A 12 O4' DC A 12 C1' 0.137
REMARK 500 DG B 13 P DG B 13 OP2 0.116
REMARK 500 DG B 13 P DG B 13 OP3 -0.126
REMARK 500 DG B 13 C2' DG B 13 C1' -0.081
REMARK 500 DC B 14 O3' DC B 15 P -0.081
REMARK 500 DG B 16 O3' DG B 16 C3' -0.037
REMARK 500 DG B 16 O3' DT B 17 P -0.130
REMARK 500 DT B 17 O4' DT B 17 C1' 0.085
REMARK 500 DT B 17 C5 DT B 17 C6 0.050
REMARK 500 DT B 17 O3' DT B 18 P -0.094
REMARK 500 DT B 18 O4' DT B 18 C1' 0.068
REMARK 500 DT B 18 C5 DT B 18 C6 0.047
REMARK 500 DT B 18 O3' DA B 19 P -0.113
REMARK 500 DC B 24 O4' DC B 24 C1' 0.137
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 DG A 1 OP1 - P - OP2 ANGL. DEV. = -10.4 DEGREES
REMARK 500 DG A 1 O4' - C1' - N9 ANGL. DEV. = -6.5 DEGREES
REMARK 500 DG A 1 C3' - O3' - P ANGL. DEV. = 8.0 DEGREES
REMARK 500 DC A 2 O4' - C1' - N1 ANGL. DEV. = -11.1 DEGREES
REMARK 500 DC A 2 C3' - O3' - P ANGL. DEV. = 16.9 DEGREES
REMARK 500 DC A 3 O4' - C1' - N1 ANGL. DEV. = -10.2 DEGREES
REMARK 500 DC A 3 C3' - O3' - P ANGL. DEV. = 14.2 DEGREES
REMARK 500 DG A 4 C5' - C4' - O4' ANGL. DEV. = 13.8 DEGREES
REMARK 500 DG A 4 O4' - C1' - N9 ANGL. DEV. = -4.4 DEGREES
REMARK 500 DG A 4 C3' - O3' - P ANGL. DEV. = 17.0 DEGREES
REMARK 500 DT A 5 O4' - C1' - C2' ANGL. DEV. = -5.8 DEGREES
REMARK 500 DT A 5 O4' - C1' - N1 ANGL. DEV. = -6.8 DEGREES
REMARK 500 DT A 5 N1 - C2 - N3 ANGL. DEV. = 3.7 DEGREES
REMARK 500 DT A 5 C2 - N3 - C4 ANGL. DEV. = -4.4 DEGREES
REMARK 500 DT A 5 C5 - C6 - N1 ANGL. DEV. = -3.8 DEGREES
REMARK 500 DT A 5 C3' - O3' - P ANGL. DEV. = 12.3 DEGREES
REMARK 500 DT A 6 C5' - C4' - O4' ANGL. DEV. = 9.7 DEGREES
REMARK 500 DT A 6 O4' - C1' - N1 ANGL. DEV. = -10.4 DEGREES
REMARK 500 DT A 6 C2 - N3 - C4 ANGL. DEV. = -4.3 DEGREES
REMARK 500 DT A 6 C5 - C6 - N1 ANGL. DEV. = -3.9 DEGREES
REMARK 500 DT A 6 C3' - O3' - P ANGL. DEV. = 13.8 DEGREES
REMARK 500 DA A 7 C5' - C4' - O4' ANGL. DEV. = 11.0 DEGREES
REMARK 500 DA A 7 O4' - C1' - C2' ANGL. DEV. = -5.7 DEGREES
REMARK 500 DA A 7 O4' - C1' - N9 ANGL. DEV. = -5.9 DEGREES
REMARK 500 DA A 7 C3' - O3' - P ANGL. DEV. = 11.7 DEGREES
REMARK 500 DC A 9 O4' - C1' - N1 ANGL. DEV. = -4.6 DEGREES
REMARK 500 DC A 9 C3' - O3' - P ANGL. DEV. = 17.7 DEGREES
REMARK 500 DG A 10 C3' - O3' - P ANGL. DEV. = 11.2 DEGREES
REMARK 500 DG A 11 O4' - C1' - N9 ANGL. DEV. = -4.3 DEGREES
REMARK 500 DG A 11 C3' - O3' - P ANGL. DEV. = 7.3 DEGREES
REMARK 500 DC A 12 C1' - O4' - C4' ANGL. DEV. = -8.4 DEGREES
REMARK 500 DC A 12 O4' - C1' - C2' ANGL. DEV. = -5.2 DEGREES
REMARK 500 DC A 12 O4' - C1' - N1 ANGL. DEV. = -9.0 DEGREES
REMARK 500 DG B 13 OP1 - P - OP2 ANGL. DEV. = -10.5 DEGREES
REMARK 500 DG B 13 O4' - C1' - N9 ANGL. DEV. = -6.6 DEGREES
REMARK 500 DG B 13 C3' - O3' - P ANGL. DEV. = 7.8 DEGREES
REMARK 500 DC B 14 O4' - C1' - N1 ANGL. DEV. = -11.3 DEGREES
REMARK 500 DC B 14 C3' - O3' - P ANGL. DEV. = 16.8 DEGREES
REMARK 500 DC B 15 O4' - C1' - N1 ANGL. DEV. = -10.4 DEGREES
REMARK 500 DC B 15 C3' - O3' - P ANGL. DEV. = 14.0 DEGREES
REMARK 500 DG B 16 C5' - C4' - O4' ANGL. DEV. = 13.5 DEGREES
REMARK 500 DG B 16 O4' - C1' - N9 ANGL. DEV. = -4.5 DEGREES
REMARK 500 DG B 16 C3' - O3' - P ANGL. DEV. = 16.9 DEGREES
REMARK 500 DT B 17 O4' - C1' - C2' ANGL. DEV. = -5.6 DEGREES
REMARK 500 DT B 17 O4' - C1' - N1 ANGL. DEV. = -6.9 DEGREES
REMARK 500 DT B 17 N1 - C2 - N3 ANGL. DEV. = 3.7 DEGREES
REMARK 500 DT B 17 C2 - N3 - C4 ANGL. DEV. = -4.3 DEGREES
REMARK 500 DT B 17 C5 - C6 - N1 ANGL. DEV. = -3.8 DEGREES
REMARK 500 DT B 17 C3' - O3' - P ANGL. DEV. = 12.2 DEGREES
REMARK 500 DT B 18 C5' - C4' - O4' ANGL. DEV. = 9.4 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 65 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 DC A 3 0.06 SIDE CHAIN
REMARK 500 DT A 5 0.08 SIDE CHAIN
REMARK 500 DT A 6 0.08 SIDE CHAIN
REMARK 500 DA A 7 0.07 SIDE CHAIN
REMARK 500 DC A 9 0.06 SIDE CHAIN
REMARK 500 DC A 12 0.06 SIDE CHAIN
REMARK 500 DT B 17 0.08 SIDE CHAIN
REMARK 500 DT B 18 0.08 SIDE CHAIN
REMARK 500 DA B 19 0.07 SIDE CHAIN
REMARK 500 DC B 21 0.07 SIDE CHAIN
REMARK 500 DC B 24 0.06 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 132D A 1 12 PDB 132D 132D 1 12
DBREF 132D B 13 24 PDB 132D 132D 13 24
SEQRES 1 A 12 DG DC DC DG DT DT DA DA DC DG DG DC
SEQRES 1 B 12 DG DC DC DG DT DT DA DA DC DG DG DC
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 - 16 202 Bytes