Header list of 1lwa.pdb file
Complete list - b 23 2 Bytes
HEADER DNA 30-MAY-02 1LWA
TITLE SOLUTION STRUCTURE OF SRY_DNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-D(*GP*GP*GP*GP*TP*GP*AP*TP*TP*GP*TP*TP*CP*AP*G)-3';
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: SRY_DNA G-RICH STRAND;
COMPND 6 MOL_ID: 2;
COMPND 7 MOLECULE: 5'-D(*CP*TP*GP*AP*AP*CP*AP*AP*TP*CP*AP*CP*CP*CP*C)-3';
COMPND 8 CHAIN: B;
COMPND 9 ENGINEERED: YES;
COMPND 10 OTHER_DETAILS: SRY_DNA C-RICH STRAND
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: DERIVED FROM THE SEQUENCE RECOGNIZED BY THE SEQUENCE-
SOURCE 4 SPECIFIC HMGB PROTEIN SRY.;
SOURCE 5 MOL_ID: 2;
SOURCE 6 SYNTHETIC: YES;
SOURCE 7 OTHER_DETAILS: DERIVED FROM THE SEQUENCE RECOGNIZED BY THE SEQUENCE-
SOURCE 8 SPECIFIC HMGB PROTEIN SRY.
KEYWDS DOUBLE-STRANDED DNA, DNA
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR J.E.MASSE,B.WONG,Y.-M.YEN,F.H.-T.ALLAIN,R.C.JOHNSON,J.FEIGON
REVDAT 3 23-FEB-22 1LWA 1 REMARK
REVDAT 2 24-FEB-09 1LWA 1 VERSN
REVDAT 1 16-OCT-02 1LWA 0
JRNL AUTH J.E.MASSE,B.WONG,Y.-M.YEN,F.H.-T.ALLAIN,R.C.JOHNSON,J.FEIGON
JRNL TITL THE S. CEREVISIAE ARCHITECTURAL HMGB PROTEIN NHP6A COMPLEXED
JRNL TITL 2 WITH DNA: DNA AND PROTEIN CONFORMATIONAL CHANGES UPON
JRNL TITL 3 BINDING
JRNL REF J.MOL.BIOL. V. 323 263 2002
JRNL REFN ISSN 0022-2836
JRNL PMID 12381320
JRNL DOI 10.1016/S0022-2836(02)00938-5
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, X-PLOR 3.1
REMARK 3 AUTHORS : BRUKER (XWINNMR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 STRUCTURES CALCULATED WITH A TOTAL OF 780 EXPERIMENTAL
REMARK 3 RESTRAINTS. 76 HYDROGEN BOND RESTRAINTS FOR WATSON-CRICK BASE
REMARK 3 PAIRING WERE
REMARK 3 ALSO INCLUDED.
REMARK 4
REMARK 4 1LWA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-JUN-02.
REMARK 100 THE DEPOSITION ID IS D_1000016340.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : LOW NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2.2 MM DNA
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 6 2D NOESYS
REMARK 210 (TMIX=25,50,75,100,200,300 MS);
REMARK 210 11 ECHO NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 2.6, FELIX 2000, X-PLOR
REMARK 210 3.1, XWINNMR 3.1
REMARK 210 METHOD USED : SIMULATED ANNEALING RELAXATION
REMARK 210 MATRIX
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 15
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 1 C5' DG A 1 C4' 0.045
REMARK 500 1 DT A 8 C6 DT A 8 N1 -0.044
REMARK 500 1 DT A 9 C5 DT A 9 C7 0.039
REMARK 500 1 DT B 17 C5 DT B 17 C7 0.042
REMARK 500 2 DG A 1 C5' DG A 1 C4' 0.047
REMARK 500 2 DT A 9 C5 DT A 9 C7 0.036
REMARK 500 2 DT B 17 C5 DT B 17 C7 0.040
REMARK 500 3 DG A 1 C5' DG A 1 C4' 0.047
REMARK 500 3 DT B 17 C5 DT B 17 C7 0.038
REMARK 500 4 DG A 1 C5' DG A 1 C4' 0.045
REMARK 500 4 DT A 9 C5 DT A 9 C7 0.038
REMARK 500 4 DT B 17 C5 DT B 17 C7 0.039
REMARK 500 5 DG A 1 C5' DG A 1 C4' 0.044
REMARK 500 5 DT B 17 C5 DT B 17 C7 0.038
REMARK 500 6 DG A 1 C5' DG A 1 C4' 0.043
REMARK 500 6 DT A 9 C5 DT A 9 C7 0.037
REMARK 500 6 DT B 17 C5 DT B 17 C7 0.040
REMARK 500 7 DG A 1 C5' DG A 1 C4' 0.046
REMARK 500 8 DG A 1 C5' DG A 1 C4' 0.052
REMARK 500 8 DT A 9 C5 DT A 9 C7 0.039
REMARK 500 8 DT B 17 C5 DT B 17 C7 0.038
REMARK 500 9 DG A 1 C5' DG A 1 C4' 0.043
REMARK 500 9 DT B 17 C5 DT B 17 C7 0.037
REMARK 500 10 DG A 1 C5' DG A 1 C4' 0.043
REMARK 500 10 DT B 17 C5 DT B 17 C7 0.039
REMARK 500 11 DG A 1 C5' DG A 1 C4' 0.044
REMARK 500 11 DT B 17 C5 DT B 17 C7 0.039
REMARK 500 12 DG A 1 C5' DG A 1 C4' 0.044
REMARK 500 12 DT B 17 C5 DT B 17 C7 0.039
REMARK 500 13 DG A 1 C5' DG A 1 C4' 0.044
REMARK 500 13 DT B 17 C5 DT B 17 C7 0.040
REMARK 500 14 DG A 1 C5' DG A 1 C4' 0.042
REMARK 500 14 DT B 17 C5 DT B 17 C7 0.043
REMARK 500 15 DG A 1 C5' DG A 1 C4' 0.046
REMARK 500 15 DT A 9 C5 DT A 9 C7 0.037
REMARK 500 15 DT B 17 C5 DT B 17 C7 0.040
REMARK 500 16 DG A 1 C5' DG A 1 C4' 0.042
REMARK 500 16 DT B 17 C5 DT B 17 C7 0.039
REMARK 500 17 DG A 1 C5' DG A 1 C4' 0.044
REMARK 500 17 DT B 17 C5 DT B 17 C7 0.038
REMARK 500 18 DG A 1 C5' DG A 1 C4' 0.047
REMARK 500 18 DT B 17 C5 DT B 17 C7 0.037
REMARK 500 19 DT B 17 C5 DT B 17 C7 0.038
REMARK 500 20 DG A 1 C5' DG A 1 C4' 0.045
REMARK 500 20 DT B 17 C5 DT B 17 C7 0.037
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 DG A 3 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES
REMARK 500 1 DG A 4 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES
REMARK 500 1 DT A 5 C6 - C5 - C7 ANGL. DEV. = -4.5 DEGREES
REMARK 500 1 DG A 6 O4' - C1' - C2' ANGL. DEV. = -4.9 DEGREES
REMARK 500 1 DG A 6 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 1 DA A 7 O4' - C4' - C3' ANGL. DEV. = 4.0 DEGREES
REMARK 500 1 DT A 8 O4' - C1' - N1 ANGL. DEV. = 6.0 DEGREES
REMARK 500 1 DT A 8 C4 - C5 - C6 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 DT A 8 C4 - C5 - C7 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 DT A 8 C6 - C5 - C7 ANGL. DEV. = -8.2 DEGREES
REMARK 500 1 DT A 9 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 DT A 11 O4' - C4' - C3' ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 DG B 18 O4' - C1' - C2' ANGL. DEV. = -5.4 DEGREES
REMARK 500 1 DG B 18 O4' - C1' - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 DC B 21 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 DA B 23 O4' - C4' - C3' ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 DT B 24 O4' - C1' - N1 ANGL. DEV. = 6.2 DEGREES
REMARK 500 1 DT B 24 C4 - C5 - C6 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 DT B 24 C4 - C5 - C7 ANGL. DEV. = 4.1 DEGREES
REMARK 500 1 DT B 24 C6 - C5 - C7 ANGL. DEV. = -8.2 DEGREES
REMARK 500 1 DC B 28 O4' - C1' - C2' ANGL. DEV. = -5.7 DEGREES
REMARK 500 2 DG A 3 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 2 DG A 4 O4' - C1' - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 2 DT A 5 C6 - C5 - C7 ANGL. DEV. = -4.8 DEGREES
REMARK 500 2 DG A 6 O4' - C1' - C2' ANGL. DEV. = -5.1 DEGREES
REMARK 500 2 DA A 7 O4' - C4' - C3' ANGL. DEV. = 4.0 DEGREES
REMARK 500 2 DT A 8 O4' - C1' - N1 ANGL. DEV. = 5.7 DEGREES
REMARK 500 2 DT A 8 C4 - C5 - C7 ANGL. DEV. = 4.8 DEGREES
REMARK 500 2 DT A 8 C6 - C5 - C7 ANGL. DEV. = -8.3 DEGREES
REMARK 500 2 DT A 9 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES
REMARK 500 2 DT A 11 O4' - C4' - C3' ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 DG B 18 O4' - C1' - C2' ANGL. DEV. = -5.6 DEGREES
REMARK 500 2 DG B 18 O4' - C1' - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 2 DA B 19 O4' - C4' - C3' ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 DA B 19 O4' - C1' - N9 ANGL. DEV. = -4.5 DEGREES
REMARK 500 2 DC B 21 O4' - C1' - C2' ANGL. DEV. = -6.0 DEGREES
REMARK 500 2 DC B 21 O4' - C1' - N1 ANGL. DEV. = 6.5 DEGREES
REMARK 500 2 DA B 23 O4' - C4' - C3' ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 DT B 24 O4' - C1' - N1 ANGL. DEV. = 6.0 DEGREES
REMARK 500 2 DT B 24 C4 - C5 - C6 ANGL. DEV. = 4.3 DEGREES
REMARK 500 2 DT B 24 C4 - C5 - C7 ANGL. DEV. = 4.1 DEGREES
REMARK 500 2 DT B 24 C6 - C5 - C7 ANGL. DEV. = -8.3 DEGREES
REMARK 500 2 DC B 28 O4' - C1' - C2' ANGL. DEV. = -5.5 DEGREES
REMARK 500 2 DC B 29 O4' - C1' - N1 ANGL. DEV. = -4.4 DEGREES
REMARK 500 3 DG A 3 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES
REMARK 500 3 DG A 4 O4' - C1' - N9 ANGL. DEV. = 4.0 DEGREES
REMARK 500 3 DT A 5 C6 - C5 - C7 ANGL. DEV. = -4.5 DEGREES
REMARK 500 3 DA A 7 O4' - C4' - C3' ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 DT A 8 O4' - C4' - C3' ANGL. DEV. = 3.6 DEGREES
REMARK 500 3 DT A 8 O4' - C1' - N1 ANGL. DEV. = 5.8 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 405 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1CG7 RELATED DB: PDB
REMARK 900 FREE NHP6A PROTEIN STRUCTURE
REMARK 900 RELATED ID: 1J5N RELATED DB: PDB
REMARK 900 NHP6A/SRY_DNA COMPLEX
REMARK 900 RELATED ID: 1LWM RELATED DB: PDB
REMARK 900 FREE NHP6A PROTEIN STRUCTURE
DBREF 1LWA A 1 15 PDB 1LWA 1LWA 1 15
DBREF 1LWA B 16 30 PDB 1LWA 1LWA 16 30
SEQRES 1 A 15 DG DG DG DG DT DG DA DT DT DG DT DT DC
SEQRES 2 A 15 DA DG
SEQRES 1 B 15 DC DT DG DA DA DC DA DA DT DC DA DC DC
SEQRES 2 B 15 DC 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
MODEL 1
Complete list - b 23 2 Bytes