Header list of 1ew1.pdb file
Complete list - 16 20 Bytes
HEADER DNA 21-APR-00 1EW1
TITLE RECA PROTEIN-BOUND SINGLE-STRANDED DNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA (5'-D(*TP*AP*CP*G)-3');
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: RECA PROTEIN-BOUND SINGLE-STRANDED DNA
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS DEOXYRIBOSE-BASE STACKING, SINGLE-STRANDED DNA, DNA
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR T.NISHINAKA,Y.ITO,S.YOKOYAMA,T.SHIBATA
REVDAT 3 16-FEB-22 1EW1 1 REMARK
REVDAT 2 24-FEB-09 1EW1 1 VERSN
REVDAT 1 08-MAY-00 1EW1 0
JRNL AUTH T.NISHINAKA,Y.ITO,S.YOKOYAMA,T.SHIBATA
JRNL TITL AN EXTENDED DNA STRUCTURE THROUGH DEOXYRIBOSE-BASE STACKING
JRNL TITL 2 INDUCED BY RECA PROTEIN.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 94 6623 1997
JRNL REFN ISSN 0027-8424
JRNL PMID 9192615
JRNL DOI 10.1073/PNAS.94.13.6623
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1, X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER (X-PLOR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1EW1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-APR-00.
REMARK 100 THE DEPOSITION ID IS D_1000010946.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.1
REMARK 210 IONIC STRENGTH : 6.7MM MGCL2, 150MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.8MM D(TPAPCPG); 20MM TRIS-CL,
REMARK 210 6.7MM MGCL2, 150MM NACL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING TRANSFERRED NOE
REMARK 210 TECHNIQUES. THE ROOT-MEAN-SQUARE DEVIATION OF THE T-A-C REGION
REMARK 210 IS 0.30 ANGSTROM. THE FOURTH RESIDUE (G) IS DISORDERED BECAUSE
REMARK 210 OF FEW NOE CONSTRAINTS
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: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
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 1 DT A 1 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 1 DA A 2 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 1 DA A 2 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 DA A 2 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 1 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES
REMARK 500 1 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES
REMARK 500 1 DG A 4 N7 - C8 - N9 ANGL. DEV. = 5.0 DEGREES
REMARK 500 2 DT A 1 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 2 DA A 2 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 2 DA A 2 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 DA A 2 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 2 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES
REMARK 500 2 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 2 DG A 4 N7 - C8 - N9 ANGL. DEV. = 5.0 DEGREES
REMARK 500 3 DT A 1 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 3 DA A 2 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES
REMARK 500 3 DA A 2 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 3 DA A 2 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 3 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES
REMARK 500 3 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 3 DG A 4 N7 - C8 - N9 ANGL. DEV. = 5.0 DEGREES
REMARK 500 4 DT A 1 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 4 DA A 2 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 4 DA A 2 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 4 DA A 2 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 4 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES
REMARK 500 4 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 4 DG A 4 N7 - C8 - N9 ANGL. DEV. = 5.0 DEGREES
REMARK 500 5 DT A 1 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 5 DA A 2 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 5 DA A 2 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 5 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES
REMARK 500 5 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500 5 DG A 4 N7 - C8 - N9 ANGL. DEV. = 5.1 DEGREES
REMARK 500 6 DT A 1 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES
REMARK 500 6 DA A 2 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES
REMARK 500 6 DA A 2 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 6 DA A 2 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500 6 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES
REMARK 500 6 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 6 DG A 4 N7 - C8 - N9 ANGL. DEV. = 5.1 DEGREES
REMARK 500 7 DT A 1 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 7 DA A 2 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 7 DA A 2 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 7 DC A 3 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES
REMARK 500 7 DG A 4 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES
REMARK 500 7 DG A 4 N7 - C8 - N9 ANGL. DEV. = 5.1 DEGREES
REMARK 500 8 DT A 1 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 8 DA A 2 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 8 DA A 2 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 65 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 3REC RELATED DB: PDB
REMARK 900 MODEL STRUCTURE BASED ON THIS STRUCTURE
DBREF 1EW1 A 1 4 PDB 1EW1 1EW1 1 4
SEQRES 1 A 4 DT DA 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 - 16 20 Bytes