Header list of 1e7j.pdb file
Complete list - r 25 2 Bytes
HEADER PROTEIN/DNA 29-AUG-00 1E7J
TITLE HMG-D COMPLEXED TO A BULGE DNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HIGH MOBILITY GROUP PROTEIN D;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: HMG-D DOMAIN;
COMPND 5 SYNONYM: HMG-D;
COMPND 6 ENGINEERED: YES;
COMPND 7 MOL_ID: 2;
COMPND 8 MOLECULE: DNA
COMPND 9 (5'-D(*CP*GP*AP*TP*AP*TP*TP*AP*AP*GP*AP*GP*CP*C)-3');
COMPND 10 CHAIN: B;
COMPND 11 MOL_ID: 3;
COMPND 12 MOLECULE: DNA
COMPND 13 (5'-D(*GP*GP*CP*TP*CP*AP*AP*TP*AP*TP*CP*G)-3');
COMPND 14 CHAIN: C
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;
SOURCE 3 ORGANISM_COMMON: FRUIT FLY;
SOURCE 4 ORGANISM_TAXID: 7227;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET13A;
SOURCE 9 MOL_ID: 2;
SOURCE 10 SYNTHETIC: NON-BIOLOGICAL SEQUENCE;
SOURCE 11 MOL_ID: 3;
SOURCE 12 SYNTHETIC: NON-BIOLOGICAL SEQUENCE
KEYWDS PROTEIN/DNA, PROTEIN-DNA COMPLEX
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR R.CERDAN,D.PAYET,J.-C.YANG,A.A.TRAVERS,D.NEUHAUS
REVDAT 3 24-FEB-09 1E7J 1 VERSN
REVDAT 2 29-MAR-01 1E7J 1 COMPND
REVDAT 1 05-MAR-01 1E7J 0
JRNL AUTH R.CERDAN,D.PAYET,J.-C.YANG,A.A.TRAVERS,D.NEUHAUS
JRNL TITL HMG-D COMPLEXED TO A BULGE DNA: AN NMR MODEL
JRNL REF PROTEIN SCI. V. 10 504 2001
JRNL REFN ISSN 0961-8368
JRNL PMID 11344319
JRNL DOI 10.1110/PS.35501
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH D.N.M.JONES,M.A.SEARLES,G.L.SHAW,M.E.A.CHURCHILL,
REMARK 1 AUTH 2 S.S.NER,J.KEELER,A.A.TRAVERS,D.NEUHAUS
REMARK 1 TITL THE SOLUTION STRUCTURE AND DYNAMICS OF THE
REMARK 1 TITL 2 DNA-BINDING DOMAIN OF HMG-D FROM DROSOPHILA
REMARK 1 TITL 3 MELANOGASTER
REMARK 1 REF STRUCTURE V. 2 609 1994
REMARK 1 REFN ISSN 0969-2126
REMARK 1 PMID 7922039
REMARK 1 DOI 10.1016/S0969-2126(00)00063-0
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851, CHARMM 24
REMARK 3 AUTHORS : BRUNGER, MACKERELL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS WILL BE FOUND IN
REMARK 3 THE PAPER
REMARK 4
REMARK 4 1E7J COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 29-AUG-00.
REMARK 100 THE PDBE ID CODE IS EBI-5243.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : LOW
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY; COSY;
REMARK 210 15N-HSQC; 3DCBCA(CO)NH;
REMARK 210 3D 15N NOESY-HSQC; 3D 13C
REMARK 210 NOESY-HSQC; 3D HCCH-TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500; 600; 800
REMARK 210 SPECTROMETER MODEL : AMX 500; DMX 600; AVANCE
REMARK 210 800
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XPLOR 3.851, CHARMM 24
REMARK 210 METHOD USED : SIMULATED ANNEALING,
REMARK 210 MINIMIZATION
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOW VALUES OF THE NOE
REMARK 210 ENERGY TERM AND PROTEIN LOCATED
REMARK 210 WITHIN MINOR GROOVE OF DNA
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
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 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 DT B 4 N1 DT B 4 C2 0.051
REMARK 500 1 DT B 6 N1 DT B 6 C2 0.054
REMARK 500 1 DT B 7 N1 DT B 7 C2 0.054
REMARK 500 1 DT C 18 N1 DT C 18 C2 0.051
REMARK 500 1 DT C 22 N1 DT C 22 C2 0.052
REMARK 500 1 DT C 24 N1 DT C 24 C2 0.052
REMARK 500 2 DT B 4 N1 DT B 4 C2 0.051
REMARK 500 2 DT B 6 N1 DT B 6 C2 0.051
REMARK 500 2 DT B 7 N1 DT B 7 C2 0.055
REMARK 500 2 DT C 18 N1 DT C 18 C2 0.050
REMARK 500 2 DT C 22 N1 DT C 22 C2 0.051
REMARK 500 2 DT C 24 N1 DT C 24 C2 0.051
REMARK 500 3 DT B 4 N1 DT B 4 C2 0.054
REMARK 500 3 DT B 6 N1 DT B 6 C2 0.054
REMARK 500 3 DT B 7 N1 DT B 7 C2 0.055
REMARK 500 3 DT C 18 N1 DT C 18 C2 0.051
REMARK 500 3 DT C 22 N1 DT C 22 C2 0.052
REMARK 500 3 DT C 24 N1 DT C 24 C2 0.052
REMARK 500 4 DT B 4 N1 DT B 4 C2 0.053
REMARK 500 4 DT B 6 N1 DT B 6 C2 0.051
REMARK 500 4 DT B 7 N1 DT B 7 C2 0.057
REMARK 500 4 DT C 18 N1 DT C 18 C2 0.051
REMARK 500 4 DT C 22 N1 DT C 22 C2 0.052
REMARK 500 4 DT C 24 N1 DT C 24 C2 0.052
REMARK 500 5 DT B 4 N1 DT B 4 C2 0.053
REMARK 500 5 DT B 6 N1 DT B 6 C2 0.052
REMARK 500 5 DT B 7 N1 DT B 7 C2 0.055
REMARK 500 5 DT C 18 N1 DT C 18 C2 0.052
REMARK 500 5 DT C 22 N1 DT C 22 C2 0.050
REMARK 500 5 DT C 24 N1 DT C 24 C2 0.051
REMARK 500 6 DT B 4 N1 DT B 4 C2 0.050
REMARK 500 6 DT B 6 N1 DT B 6 C2 0.051
REMARK 500 6 DT B 7 N1 DT B 7 C2 0.055
REMARK 500 6 DT C 18 N1 DT C 18 C2 0.051
REMARK 500 6 DT C 22 N1 DT C 22 C2 0.052
REMARK 500 6 DT C 24 N1 DT C 24 C2 0.052
REMARK 500 7 DT B 4 N1 DT B 4 C2 0.053
REMARK 500 7 DT B 6 N1 DT B 6 C2 0.053
REMARK 500 7 DT B 7 N1 DT B 7 C2 0.056
REMARK 500 7 DT C 18 N1 DT C 18 C2 0.050
REMARK 500 7 DT C 22 N1 DT C 22 C2 0.054
REMARK 500 7 DT C 24 N1 DT C 24 C2 0.052
REMARK 500 8 DT B 4 N1 DT B 4 C2 0.054
REMARK 500 8 DT B 6 N1 DT B 6 C2 0.050
REMARK 500 8 DT B 7 N1 DT B 7 C2 0.067
REMARK 500 8 DA B 9 N9 DA B 9 C4 0.037
REMARK 500 8 DT C 18 N1 DT C 18 C2 0.053
REMARK 500 8 DT C 22 N1 DT C 22 C2 0.051
REMARK 500 8 DT C 24 N1 DT C 24 C2 0.051
REMARK 500 9 DT B 4 N1 DT B 4 C2 0.051
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 B 1 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES
REMARK 500 1 DG B 2 C5 - C6 - O6 ANGL. DEV. = -3.6 DEGREES
REMARK 500 1 DG B 2 N1 - C6 - O6 ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 DG B 2 N3 - C2 - N2 ANGL. DEV. = 6.3 DEGREES
REMARK 500 1 DA B 3 N1 - C6 - N6 ANGL. DEV. = 7.0 DEGREES
REMARK 500 1 DA B 5 N1 - C6 - N6 ANGL. DEV. = 7.2 DEGREES
REMARK 500 1 DT B 6 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES
REMARK 500 1 DT B 7 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES
REMARK 500 1 DA B 8 N1 - C6 - N6 ANGL. DEV. = 6.6 DEGREES
REMARK 500 1 DA B 9 N1 - C6 - N6 ANGL. DEV. = 6.7 DEGREES
REMARK 500 1 DG B 10 N1 - C6 - O6 ANGL. DEV. = 3.8 DEGREES
REMARK 500 1 DG B 10 N3 - C2 - N2 ANGL. DEV. = 6.5 DEGREES
REMARK 500 1 DA B 11 N1 - C6 - N6 ANGL. DEV. = 6.8 DEGREES
REMARK 500 1 DG B 12 N1 - C6 - O6 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 DG B 12 N3 - C2 - N2 ANGL. DEV. = 6.3 DEGREES
REMARK 500 1 DG B 12 O4' - C1' - C2' ANGL. DEV. = -3.4 DEGREES
REMARK 500 1 DG B 12 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES
REMARK 500 1 DG C 15 N1 - C6 - O6 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 DG C 15 N3 - C2 - N2 ANGL. DEV. = 6.2 DEGREES
REMARK 500 1 DG C 16 N1 - C6 - O6 ANGL. DEV. = 3.6 DEGREES
REMARK 500 1 DG C 16 N3 - C2 - N2 ANGL. DEV. = 6.2 DEGREES
REMARK 500 1 DC C 17 O4' - C1' - C2' ANGL. DEV. = -3.0 DEGREES
REMARK 500 1 DC C 19 O4' - C1' - C2' ANGL. DEV. = -4.0 DEGREES
REMARK 500 1 DA C 20 N1 - C6 - N6 ANGL. DEV. = 7.1 DEGREES
REMARK 500 1 DA C 21 N1 - C6 - N6 ANGL. DEV. = 7.2 DEGREES
REMARK 500 1 DA C 23 N1 - C6 - N6 ANGL. DEV. = 7.4 DEGREES
REMARK 500 1 DA C 23 O4' - C1' - C2' ANGL. DEV. = -3.2 DEGREES
REMARK 500 1 DC C 25 O4' - C1' - C2' ANGL. DEV. = -3.5 DEGREES
REMARK 500 1 DC C 25 O4' - C1' - N1 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DG C 26 N1 - C6 - O6 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 DG C 26 N3 - C2 - N2 ANGL. DEV. = 6.4 DEGREES
REMARK 500 2 DC B 1 O4' - C1' - N1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 2 DG B 2 N1 - C6 - O6 ANGL. DEV. = 3.9 DEGREES
REMARK 500 2 DG B 2 N3 - C2 - N2 ANGL. DEV. = 6.3 DEGREES
REMARK 500 2 DA B 3 N1 - C6 - N6 ANGL. DEV. = 6.8 DEGREES
REMARK 500 2 DA B 5 N1 - C6 - N6 ANGL. DEV. = 7.1 DEGREES
REMARK 500 2 DT B 6 O4' - C1' - C2' ANGL. DEV. = -3.1 DEGREES
REMARK 500 2 DT B 7 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 2 DA B 8 N1 - C6 - N6 ANGL. DEV. = 6.8 DEGREES
REMARK 500 2 DA B 8 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES
REMARK 500 2 DA B 9 N1 - C6 - N6 ANGL. DEV. = 6.9 DEGREES
REMARK 500 2 DG B 10 N1 - C6 - O6 ANGL. DEV. = 3.7 DEGREES
REMARK 500 2 DG B 10 N3 - C2 - N2 ANGL. DEV. = 5.9 DEGREES
REMARK 500 2 DA B 11 N1 - C6 - N6 ANGL. DEV. = 6.8 DEGREES
REMARK 500 2 DG B 12 N3 - C2 - N2 ANGL. DEV. = 6.3 DEGREES
REMARK 500 2 DG B 12 O4' - C1' - C2' ANGL. DEV. = -3.5 DEGREES
REMARK 500 2 DG B 12 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES
REMARK 500 2 DC B 13 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES
REMARK 500 2 DG C 15 N3 - C2 - N2 ANGL. DEV. = 6.5 DEGREES
REMARK 500 2 DG C 16 N1 - C6 - O6 ANGL. DEV. = 3.6 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 300 ANGLE DEVIATIONS
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 MET A 46 -75.49 -132.66
REMARK 500 1 LYS A 47 -123.54 -136.50
REMARK 500 2 MET A 46 -60.87 -123.34
REMARK 500 2 LYS A 47 -98.87 -148.67
REMARK 500 2 ALA A 72 42.36 -98.44
REMARK 500 3 SER A 2 44.57 -149.91
REMARK 500 3 ASP A 3 -121.21 -103.66
REMARK 500 3 MET A 46 -150.63 -132.00
REMARK 500 3 LYS A 47 -106.54 -87.74
REMARK 500 4 MET A 46 -142.82 -116.02
REMARK 500 4 LYS A 47 -99.85 -104.67
REMARK 500 4 ALA A 72 58.26 -93.84
REMARK 500 5 SER A 2 -89.59 -147.35
REMARK 500 5 ALA A 19 53.09 -97.37
REMARK 500 5 MET A 46 -149.13 -123.22
REMARK 500 5 LYS A 47 -111.26 -99.41
REMARK 500 6 ARG A 7 82.78 57.79
REMARK 500 6 LEU A 9 91.33 55.75
REMARK 500 6 MET A 46 -137.91 -113.84
REMARK 500 6 LYS A 47 -120.93 -114.02
REMARK 500 7 SER A 2 -132.09 -110.78
REMARK 500 7 LYS A 6 -157.80 -120.40
REMARK 500 7 SER A 10 127.34 -171.83
REMARK 500 7 ALA A 45 73.35 -107.03
REMARK 500 7 MET A 46 -139.97 -117.59
REMARK 500 7 LYS A 47 -124.09 -117.21
REMARK 500 8 LYS A 47 -71.79 82.89
REMARK 500 9 ASP A 3 -132.21 55.74
REMARK 500 9 LYS A 6 -168.79 -116.72
REMARK 500 9 GLU A 41 -27.45 66.01
REMARK 500 9 MET A 46 -92.91 -106.52
REMARK 500 9 LYS A 47 -91.51 -145.53
REMARK 500 10 SER A 2 54.78 -144.89
REMARK 500 10 MET A 46 -154.51 -134.55
REMARK 500 10 LYS A 47 -100.69 -88.99
REMARK 500 10 PHE A 70 -72.92 -85.94
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 1 DA B 5 0.06 SIDE CHAIN
REMARK 500 1 DT B 7 0.09 SIDE CHAIN
REMARK 500 1 DA B 8 0.06 SIDE CHAIN
REMARK 500 1 DC C 19 0.09 SIDE CHAIN
REMARK 500 1 DC C 25 0.08 SIDE CHAIN
REMARK 500 2 DA B 9 0.07 SIDE CHAIN
REMARK 500 2 DC C 25 0.09 SIDE CHAIN
REMARK 500 3 DA B 8 0.07 SIDE CHAIN
REMARK 500 3 DG B 12 0.05 SIDE CHAIN
REMARK 500 3 DG C 15 0.05 SIDE CHAIN
REMARK 500 3 DT C 18 0.07 SIDE CHAIN
REMARK 500 3 DC C 25 0.10 SIDE CHAIN
REMARK 500 3 DG C 26 0.05 SIDE CHAIN
REMARK 500 4 DT B 7 0.07 SIDE CHAIN
REMARK 500 4 DC C 19 0.08 SIDE CHAIN
REMARK 500 4 DC C 25 0.08 SIDE CHAIN
REMARK 500 5 TYR A 63 0.07 SIDE CHAIN
REMARK 500 5 DT B 7 0.07 SIDE CHAIN
REMARK 500 5 DT C 18 0.06 SIDE CHAIN
REMARK 500 5 DC C 25 0.11 SIDE CHAIN
REMARK 500 6 DC C 25 0.10 SIDE CHAIN
REMARK 500 7 DG B 12 0.05 SIDE CHAIN
REMARK 500 7 DC C 25 0.09 SIDE CHAIN
REMARK 500 8 DA C 20 0.08 SIDE CHAIN
REMARK 500 8 DA C 21 0.07 SIDE CHAIN
REMARK 500 8 DC C 25 0.07 SIDE CHAIN
REMARK 500 9 DT B 7 0.12 SIDE CHAIN
REMARK 500 9 DC C 25 0.09 SIDE CHAIN
REMARK 500 10 DG C 15 0.05 SIDE CHAIN
REMARK 500 10 DC C 25 0.09 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CHIRAL CENTERS
REMARK 500
REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL
REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY
REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16)
REMARK 500
REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS
REMARK 500 9 GLU A 41 23.3 L L OUTSIDE RANGE
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1QRV RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF HMG-D AND
REMARK 900 DEOXYRIBONUCLEIC ACID
DBREF 1E7J A 1 74 UNP Q05783 HMGD_DROME 1 74
DBREF 1E7J B 1 14 PDB 1E7J 1E7J 1 14
DBREF 1E7J C 15 26 PDB 1E7J 1E7J 15 26
SEQRES 1 B 14 DC DG DA DT DA DT DT DA DA DG DA DG DC
SEQRES 2 B 14 DC
SEQRES 1 C 12 DG DG DC DT DC DA DA DT DA DT DC DG
SEQRES 1 A 74 MET SER ASP LYS PRO LYS ARG PRO LEU SER ALA TYR MET
SEQRES 2 A 74 LEU TRP LEU ASN SER ALA ARG GLU SER ILE LYS ARG GLU
SEQRES 3 A 74 ASN PRO GLY ILE LYS VAL THR GLU VAL ALA LYS ARG GLY
SEQRES 4 A 74 GLY GLU LEU TRP ARG ALA MET LYS ASP LYS SER GLU TRP
SEQRES 5 A 74 GLU ALA LYS ALA ALA LYS ALA LYS ASP ASP TYR ASP ARG
SEQRES 6 A 74 ALA VAL LYS GLU PHE GLU ALA ASN GLY
HELIX 1 1 ALA A 11 ASN A 27 1 17
HELIX 2 2 THR A 33 MET A 46 1 14
HELIX 3 3 LYS A 49 ASN A 73 1 25
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 - r 25 2 Bytes