Header list of 1irg.pdb file
Complete list - v 29 2 Bytes
HEADER TRANSCRIPTION REGULATION 25-NOV-97 1IRG
TITLE INTERFERON REGULATORY FACTOR-2 DNA BINDING DOMAIN, NMR, 20 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: INTERFERON REGULATORY FACTOR-2;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 2 - 113;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 CELL_LINE: BL21;
SOURCE 6 CELLULAR_LOCATION: NUCLEUS;
SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21 (LAMBDA DE3);
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: BL21
KEYWDS TRANSCRIPTION REGULATION, WINGED HELIX-TURN-HELIX
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR J.FURUI,K.UEGAKI,T.YAMAZAKI,M.SHIRAKAWA,M.B.SWINDELLS,H.HARADA,
AUTHOR 2 T.TANIGUCHI,Y.KYOGOKU
REVDAT 4 29-NOV-17 1IRG 1 REMARK HELIX
REVDAT 3 24-FEB-09 1IRG 1 VERSN
REVDAT 2 05-APR-00 1IRG 1 JRNL
REVDAT 1 18-MAR-98 1IRG 0
JRNL AUTH J.FURUI,K.UEGAKI,T.YAMAZAKI,M.SHIRAKAWA,M.B.SWINDELLS,
JRNL AUTH 2 H.HARADA,T.TANIGUCHI,Y.KYOGOKU
JRNL TITL SOLUTION STRUCTURE OF THE IRF-2 DNA-BINDING DOMAIN: A NOVEL
JRNL TITL 2 SUBGROUP OF THE WINGED HELIX-TURN-HELIX FAMILY.
JRNL REF STRUCTURE V. 6 491 1998
JRNL REFN ISSN 0969-2126
JRNL PMID 9562558
JRNL DOI 10.1016/S0969-2126(98)00050-1
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH K.UEGAKI,M.SHIRAKAWA,H.HARADA,T.TANIGUCHI,Y.KYOGOKU
REMARK 1 TITL SECONDARY STRUCTURE AND FOLDING TOPOLOGY OF THE DNA BINDING
REMARK 1 TITL 2 DOMAIN OF INTERFERON REGULATORY FACTOR 2, AS REVEALED BY NMR
REMARK 1 TITL 3 SPECTROSCOPY
REMARK 1 REF FEBS LETT. V. 359 184 1995
REMARK 1 REFN ISSN 0014-5793
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURAL STATISTICS: AVERAGE SD RMSD
REMARK 3 FROM EXPERIMENTAL DISTANCE RESTRAINTS ALL (1453) 0.025 A 0.001 A
REMARK 3 INTRARESIDUE NOE (415) 0.022 A 0.001 A SEQUENTIAL NOE (|I-J|=1)
REMARK 3 (381) 0.025 A 0.003 A MEDIUM RANGE NOE (1<|I-J|<5) (242) 0.026 A
REMARK 3 0.004 A LONG RANGE NOE (|I-J|>=5) (363) 0.022 A 0.003 A HYDROGEN
REMARK 3 BOND (52)* 0.051 A 0.002 A
REMARK 4
REMARK 4 1IRG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000174239.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298.00
REMARK 210 PH : 5.70
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 15N-EDITED 3D NOESY; 13C -EDITED
REMARK 210 3D NOESY; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : AMX500; ARX500; ALPHA600
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; JEOL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR 3.1
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : THE LOWEST TARGET FUNCTIONS
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: 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: 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
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 6 70.15 30.65
REMARK 500 1 ARG A 7 173.31 -58.14
REMARK 500 1 ASN A 19 74.85 75.27
REMARK 500 1 LYS A 25 -178.99 -176.97
REMARK 500 1 ASN A 28 70.17 -158.97
REMARK 500 1 TRP A 38 -144.88 68.80
REMARK 500 1 ALA A 41 -78.94 -142.38
REMARK 500 1 HIS A 44 -68.05 -155.33
REMARK 500 1 TRP A 46 25.71 40.27
REMARK 500 1 ASP A 47 85.81 148.49
REMARK 500 1 LEU A 54 -63.63 -93.11
REMARK 500 1 PHE A 55 -30.24 -35.07
REMARK 500 1 TRP A 58 -179.53 -49.73
REMARK 500 1 ALA A 59 -90.09 56.07
REMARK 500 1 HIS A 61 -86.00 -90.38
REMARK 500 1 ILE A 69 -46.40 -139.74
REMARK 500 1 SER A 87 -158.79 -99.85
REMARK 500 1 LEU A 88 104.05 31.45
REMARK 500 1 PRO A 89 29.02 -71.93
REMARK 500 1 ASP A 96 151.69 60.38
REMARK 500 1 ARG A 97 -77.36 -117.65
REMARK 500 1 ILE A 99 -61.18 -140.68
REMARK 500 1 ASN A 103 29.81 -166.48
REMARK 500 1 ASN A 104 -59.47 -147.95
REMARK 500 1 ALA A 105 86.62 57.75
REMARK 500 2 VAL A 3 102.46 -168.07
REMARK 500 2 ASN A 19 70.60 57.27
REMARK 500 2 LYS A 25 171.99 179.89
REMARK 500 2 ASN A 28 77.50 -159.11
REMARK 500 2 LYS A 32 50.05 81.65
REMARK 500 2 TRP A 38 -144.13 67.45
REMARK 500 2 MET A 39 42.99 -148.58
REMARK 500 2 HIS A 40 -87.97 67.13
REMARK 500 2 ALA A 41 75.71 176.04
REMARK 500 2 HIS A 44 -76.90 -156.57
REMARK 500 2 TRP A 46 29.85 39.49
REMARK 500 2 ASP A 47 54.26 151.66
REMARK 500 2 PHE A 55 -30.20 -36.15
REMARK 500 2 TRP A 58 -74.10 -41.64
REMARK 500 2 ALA A 59 -77.70 -33.86
REMARK 500 2 THR A 62 17.31 52.82
REMARK 500 2 HIS A 65 160.62 178.55
REMARK 500 2 ILE A 69 -45.56 -133.14
REMARK 500 2 SER A 87 -149.58 -99.31
REMARK 500 2 LEU A 88 101.06 30.75
REMARK 500 2 ASP A 96 108.80 61.58
REMARK 500 2 ARG A 97 -75.09 -43.33
REMARK 500 2 SER A 98 43.93 -149.56
REMARK 500 2 ILE A 99 -79.23 -121.57
REMARK 500 2 LYS A 101 41.33 -166.85
REMARK 500
REMARK 500 THIS ENTRY HAS 531 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1IRF RELATED DB: PDB
DBREF 1IRG A 2 113 UNP P23906 IRF2_MOUSE 2 113
SEQRES 1 A 112 PRO VAL GLU ARG MET ARG MET ARG PRO TRP LEU GLU GLU
SEQRES 2 A 112 GLN ILE ASN SER ASN THR ILE PRO GLY LEU LYS TRP LEU
SEQRES 3 A 112 ASN LYS GLU LYS LYS ILE PHE GLN ILE PRO TRP MET HIS
SEQRES 4 A 112 ALA ALA ARG HIS GLY TRP ASP VAL GLU LYS ASP ALA PRO
SEQRES 5 A 112 LEU PHE ARG ASN TRP ALA ILE HIS THR GLY LYS HIS GLN
SEQRES 6 A 112 PRO GLY ILE ASP LYS PRO ASP PRO LYS THR TRP LYS ALA
SEQRES 7 A 112 ASN PHE ARG CYS ALA MET ASN SER LEU PRO ASP ILE GLU
SEQRES 8 A 112 GLU VAL LYS ASP ARG SER ILE LYS LYS GLY ASN ASN ALA
SEQRES 9 A 112 PHE ARG VAL TYR ARG MET LEU PRO
HELIX 1 H1 MET A 8 SER A 18 1 11
HELIX 2 H2 ALA A 52 HIS A 61 1 10
HELIX 3 H3 PRO A 74 MET A 85 1 12
SHEET 1 S1 4 LYS A 25 ASN A 28 0
SHEET 2 S1 4 ILE A 33 ILE A 36 -1 N GLN A 35 O LYS A 25
SHEET 3 S1 4 ARG A 107 MET A 111 -1 N TYR A 109 O PHE A 34
SHEET 4 S1 4 ILE A 91 VAL A 94 -1 N VAL A 94 O VAL A 108
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 - v 29 2 Bytes