PDB entry 3ikf

View 3ikf on RCSB PDB site
Description: Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 717, imidazo[2,,1-b][1,3]thiazol-6-ylmethanol
Class: Lyase
Keywords: NIAID, SSGCID, Seattle Structural Genomics Center for Infectious Disease, fragment-based drug design, FBDD, Isoprene biosynthesis, Lyase, Metal-binding
Deposited on 2009-08-05, released 2009-08-18
The last revision prior to the SCOPe 2.08 freeze date was dated 2013-12-11, with a file datestamp of 2013-12-06.
Experiment type: XRAY
Resolution: 2.07 Å
R-factor: 0.178
AEROSPACI score: 0.36 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: ispF, mecS, BPSL2098
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ikfa_
  • Chain 'B':
    Compound: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: ispF, mecS, BPSL2098
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ikfb_
  • Chain 'C':
    Compound: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
    Species: Burkholderia pseudomallei [TaxId:28450]
    Gene: ispF, mecS, BPSL2098
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3ikfc_
  • Heterogens: ZN, 717, CL, ACT, K, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3ikfA (A:)
gpgsmdfrigqgydvhqlvpgrpliiggvtipyergllghsdadvllhaitdalfgaaal
gdigrhfsdtdprfkgadsrallrecasrvaqagfairnvdstiiaqapklaphidamra
niaadldlpldrvnvkaktneklgylgrgegieaqaaalvvreaaa

    Sequence, based on observed residues (ATOM records): (download) 
    >3ikfA (A:)
mdfrigqgydvhqlvpgrpliiggvtipyergllghsdadvllhaitdalfgaaalgdig
rhfsdtdprfkgadsrallrecasrvaqagfairnvdstiiaqapklaphidamraniaa
dldlpldrvnvkaktneklgylgrgegieaqaaalvvr

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3ikfB (B:)
gpgsmdfrigqgydvhqlvpgrpliiggvtipyergllghsdadvllhaitdalfgaaal
gdigrhfsdtdprfkgadsrallrecasrvaqagfairnvdstiiaqapklaphidamra
niaadldlpldrvnvkaktneklgylgrgegieaqaaalvvreaaa

    Sequence, based on observed residues (ATOM records): (download) 
    >3ikfB (B:)
mdfrigqgydvhqlvpgrpliiggvtipyerglldadvllhaitdalfgaaalgdigrhf
sdtdprfadsrallrecasrvaqagfairnvdstiiaqapklaphidamraniaadldlp
ldrvnvkaktneklgylgrgegieaqaaalvvr

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3ikfC (C:)
gpgsmdfrigqgydvhqlvpgrpliiggvtipyergllghsdadvllhaitdalfgaaal
gdigrhfsdtdprfkgadsrallrecasrvaqagfairnvdstiiaqapklaphidamra
niaadldlpldrvnvkaktneklgylgrgegieaqaaalvvreaaa

    Sequence, based on observed residues (ATOM records): (download) 
    >3ikfC (C:)
mdfrigqgydvhqlvpgrpliiggvtipyergllghsdadvllhaitdalfgaaalgdig
rhfdsrallrecasrvaqagfairnvdstiiaqapklaphidamraniaadldlpldrvn
vkaktneklgylgrgegieaqaaalvvr