HEADER CELL CYCLE 02-FEB-05 1YR1
TITLE STRUCTURE OF THE MAJOR EXTRACYTOPLASMIC DOMAIN OF THE TRANS ISOMER OF
TITLE 2 THE BACTERIAL CELL DIVISION PROTEIN DIVIB FROM GEOBACILLUS
TITLE 3 STEAROTHERMOPHILUS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CELL-DIVISION INITIATION PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: DIVIB, FTSQ;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS;
SOURCE 3 ORGANISM_TAXID: 1422;
SOURCE 4 GENE: DIVIB;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PGEX-2T;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PSAR19
KEYWDS CELL-DIVISION INITIATION PROTEIN, DIVIB, FTSQ, DIVISOME, CELL CYCLE
EXPDTA SOLUTION NMR
NUMMDL 25
AUTHOR S.A.ROBSON,G.F.KING
REVDAT 3 16-MAY-12 1YR1 1 JRNL VERSN
REVDAT 2 24-FEB-09 1YR1 1 VERSN
REVDAT 1 07-FEB-06 1YR1 0
JRNL AUTH S.A.ROBSON,G.F.KING
JRNL TITL DOMAIN ARCHITECTURE AND STRUCTURE OF THE BACTERIAL CELL
JRNL TITL 2 DIVISION PROTEIN DIVIB.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 103 6700 2006
JRNL REFN ISSN 0027-8424
JRNL PMID 16618922
JRNL DOI 10.1073/PNAS.0601397103
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH E.J.HARRY,R.G.WAKE
REMARK 1 TITL CLONING AND EXPRESSION OF A BACILLUS SUBTILIS DIVISION
REMARK 1 TITL 2 INITIATION GENE FOR WHICH A HOMOLOG HAS NOT BEEN IDENTIFIED
REMARK 1 TITL 3 IN ANOTHER ORGANISM
REMARK 1 REF J.BACTERIOL. V. 171 6835 1989
REMARK 1 REFN ISSN 0021-9193
REMARK 1 PMID 2556376
REMARK 1 REFERENCE 2
REMARK 1 AUTH B.BEALL,J.LUTKENHAUS
REMARK 1 TITL NUCLEOTIDE SEQUENCE AND INSERTIONAL INACTIVATION OF A
REMARK 1 TITL 2 BACILLUS SUBTILIS GENE THAT AFFECTS CELL DIVISION,
REMARK 1 TITL 3 SPORULATION, AND TEMPERATURE SENSITIVITY.
REMARK 1 REF J.BACTERIOL. V. 171 6821 1989
REMARK 1 REFN ISSN 0021-9193
REMARK 1 PMID 2556375
REMARK 1 REFERENCE 3
REMARK 1 AUTH S.L.ROWLAND,V.L.KATIS,S.R.PARTRIDGE,R.G.WAKE
REMARK 1 TITL DIVIB, FTSZ AND CELL DIVISION IN BACILLUS SUBTILIS.
REMARK 1 REF MOL.MICROBIOL. V. 25 275 1997
REMARK 1 REFN ISSN 0950-382X
REMARK 1 REFERENCE 4
REMARK 1 AUTH V.L.KATIS,R.G.WAKE
REMARK 1 TITL MEMBRANE-BOUND DIVISION PROTEINS DIVIB AND DIVIC OF BACILLUS
REMARK 1 TITL 2 SUBTILIS FUNCTION SOLELY THROUGH THEIR EXTERNAL DOMAINS IN
REMARK 1 TITL 3 BOTH VEGETATIVE AND SPORULATION DIVISION.
REMARK 1 REF J.BACTERIOL. V. 181 2710 1999
REMARK 1 REFN ISSN 0021-9193
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XPLOR 3.1
REMARK 3 AUTHORS : AXEL T. BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 THE STRUCTURES ARE BASED ON A TOTAL OF 2709 NOE-DERIVED
REMARK 3 DISTANCE RESTRAINTS, 82 RESTRAINTS DEFINING 41 HYDROGEN BONDS, AND
REMARK 3 196 DIHEDRAL ANGLE RESTRAINTS
REMARK 4
REMARK 4 1YR1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-FEB-05.
REMARK 100 THE RCSB ID CODE IS RCSB031831.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 308
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 0.16
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1 MM DIVIB, 150 MM NACL, 10 MM
REMARK 210 SODIUM PHOSPHATE, 10 MICROMOLAR
REMARK 210 EDTA, 10 MICROMOLAR 4-(2-
REMARK 210 AMINOETHYL)BENZENESULFONYL
REMARK 210 FLOURIDE (AEBSF), 0.02% SODIUM
REMARK 210 AZIDE, PH 6.0, 92.5% H2O, 7.5%
REMARK 210 D2O; 1 MM DIVIB, 150 MM NACL, 10
REMARK 210 MM SODIUM PHOSPHATE, 10
REMARK 210 MICROMOLAR EDTA, 10 MICROMOLAR 4-
REMARK 210 (2-AMINOETHYL)BENZENESULFONYL
REMARK 210 FLOURIDE (AEBSF), 0.02% SODIUM
REMARK 210 AZIDE, PH 6.0, 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N-
REMARK 210 SEPARATED_NOESY; HNHA; HNHB
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 2.2, XEASY 1.3.13,
REMARK 210 CANDID 1.1, CYANA 1.1
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS (CANDID/
REMARK 210 CYANA) FOLLOWED BY SIMULATED
REMARK 210 ANNEALING (XPLOR)
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 60
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY
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 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 ARG A 138 95.39 -60.61
REMARK 500 1 MET A 182 140.20 178.55
REMARK 500 2 GLU A 117 -174.81 -174.36
REMARK 500 2 ARG A 138 97.13 -61.88
REMARK 500 2 MET A 182 154.68 176.88
REMARK 500 2 VAL A 232 121.47 62.86
REMARK 500 3 ARG A 138 95.22 -60.62
REMARK 500 3 MET A 182 138.73 177.84
REMARK 500 3 ASN A 231 -40.01 -176.48
REMARK 500 3 VAL A 232 119.61 65.51
REMARK 500 4 ARG A 138 96.76 -61.07
REMARK 500 4 ARG A 230 -75.32 -66.27
REMARK 500 5 ARG A 138 95.65 -59.95
REMARK 500 5 MET A 182 157.26 178.31
REMARK 500 6 SER A 116 80.66 60.21
REMARK 500 6 ARG A 138 97.58 -61.31
REMARK 500 6 MET A 182 133.00 178.38
REMARK 500 6 ARG A 230 -70.98 -91.25
REMARK 500 6 ASN A 231 85.25 -61.21
REMARK 500 7 ARG A 138 95.99 -61.00
REMARK 500 7 MET A 182 141.46 177.30
REMARK 500 7 TYR A 193 73.49 -155.88
REMARK 500 8 SER A 116 -77.85 64.58
REMARK 500 8 ARG A 138 97.60 -61.21
REMARK 500 9 SER A 116 163.68 60.52
REMARK 500 9 ARG A 138 96.99 -61.89
REMARK 500 9 MET A 182 153.33 177.16
REMARK 500 10 SER A 116 -48.66 -134.25
REMARK 500 10 ARG A 138 97.93 -60.76
REMARK 500 10 MET A 182 153.67 179.98
REMARK 500 10 ASN A 231 -55.21 -144.78
REMARK 500 11 GLU A 117 -178.43 60.79
REMARK 500 11 ARG A 138 95.93 -60.10
REMARK 500 11 MET A 182 131.06 177.62
REMARK 500 11 ARG A 230 -75.37 -127.39
REMARK 500 12 ARG A 138 96.39 -61.96
REMARK 500 12 MET A 182 138.42 178.03
REMARK 500 13 ARG A 138 96.18 -61.29
REMARK 500 13 MET A 182 155.61 179.55
REMARK 500 14 ARG A 138 98.26 -61.07
REMARK 500 14 MET A 182 131.76 178.27
REMARK 500 15 GLU A 117 -168.90 -176.33
REMARK 500 15 ARG A 138 97.36 -60.60
REMARK 500 15 MET A 182 140.42 176.88
REMARK 500 15 ASN A 231 -61.68 -103.94
REMARK 500 15 VAL A 232 140.75 -176.53
REMARK 500 16 GLU A 117 -172.16 61.14
REMARK 500 16 ARG A 138 97.67 -60.68
REMARK 500 16 MET A 182 140.12 177.92
REMARK 500 16 TYR A 193 78.01 -156.58
REMARK 500
REMARK 500 THIS ENTRY HAS 82 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 650
REMARK 650 HELIX
REMARK 650 DETERMINATION METHOD: AUTHOR DETERMINED
REMARK 999
REMARK 999 SEQUENCE DIVIB FRAGMENT WAS SUBCLONED AS A TRANSLATIONAL FUSION TO
REMARK 999 THE C-TERMINUS OF SCHISTOSOMA JAPONICUM GLUTATHIONE S-TRANSFERASE.
REMARK 999 THE GENE SEQUENCE ENCODING THIS PROTEIN DOMAIN WAS CLONED USING
REMARK 999 CHROMOSOMAL DNA FROM GEOBACILLUS STEAROTHERMOPHILUS. THE SEQUENCE
REMARK 999 MATCHES THAT OF THE CORRESPONDING DOMAIN OF THE DIVIB ORTHOLOG FROM
REMARK 999 GEOBACILLUS KAUSTOPHILUS HTA426 (SWISS-PROT ENTRY Q5L0X5_GEOKA).
DBREF 1YR1 A 115 233 PDB 1YR1 1YR1 115 233
SEQRES 1 A 119 GLY SER GLU TRP ARG ARG ILE ALA TYR VAL TYR ASP ARG
SEQRES 2 A 119 GLN THR PHE PHE PRO LEU LEU GLU ASN GLY ARG LEU LEU
SEQRES 3 A 119 LYS GLN GLU GLY THR LYS THR ALA PRO SER ASP ALA PRO
SEQRES 4 A 119 VAL LEU VAL GLY TRP LYS ASP GLY ASP ALA ILE ALA GLU
SEQRES 5 A 119 MET THR GLY GLN LEU ALA GLU LEU PRO ALA ALA VAL LEU
SEQRES 6 A 119 GLY ALA MET SER GLU ILE HIS TYR LYS PRO THR ARG GLU
SEQRES 7 A 119 TYR GLU ASP ARG VAL ILE VAL TYR MET ASN ASP GLY TYR
SEQRES 8 A 119 GLU VAL SER ALA THR ILE ARG GLN PHE ALA ASP LYS LEU
SEQRES 9 A 119 SER HIS TYR PRO ALA ILE ALA ALA ALA LEU ASP ARG ASN
SEQRES 10 A 119 VAL LYS
HELIX 1 1 GLY A 161 GLU A 173 1 13
HELIX 2 2 ALA A 176 ALA A 181 1 6
HELIX 3 3 PHE A 214 HIS A 220 1 7
HELIX 4 4 PRO A 222 ASP A 229 1 8
SHEET 1 A 6 THR A 129 LEU A 134 0
SHEET 2 A 6 ARG A 120 ASP A 126 -1 N ALA A 122 O LEU A 133
SHEET 3 A 6 LEU A 155 VAL A 156 1 O LEU A 155 N TYR A 125
SHEET 4 A 6 GLU A 184 TYR A 187 1 O ILE A 185 N VAL A 156
SHEET 5 A 6 ARG A 196 TYR A 200 -1 O ILE A 198 N HIS A 186
SHEET 6 A 6 GLU A 206 THR A 210 -1 O ALA A 209 N VAL A 197
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
(ATOM LINES ARE NOT SHOWN.)
END
