Brand  (β version)

PDB ID: 3MBM

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Ligands
Code Name Style Show Link
717 Imidazo[2,1-B][1,3]thiazol-6-ylmethanol PoSSuM
CYT 6-aminopyrimidin-2(1h)-one PoSSuM
TRS 2-amino-2-hydroxymethyl-propane-1,3-diol PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3MBM   PDBj   RCSB PDB   PDBe
Header : LYASE
Title : Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine and FoL fragment 717, imidazo[2,1-B][1,3]thiazol-6-ylmethanol
Release Data : 2010-04-07
Compound :
mol_id molecule chains synonym
1 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase A,B,C MECPS, MECDP-synthase
ec: 4.6.1.12
Source :
mol_id organism_scientific organism_common expression_system
1 Burkholderia pseudomallei  (taxid:28450) Pseudomonas pseudomallei Escherichia coli  (taxid:562)
strain: 1710b
gene: ispF, mecS, BPSL2098
expression_system_vector_type: AVA0421
Authors : Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Keywords : NIAID, Seattle Structural Genomics Center for Infectious Disease, SSGCID, IspF, cytosine, MEP pathway, fragment-based drug design, FBDD, Fragments of Life, Isoprene biosynthesis, Lyase, Metal-binding
Exp. method : X-RAY DIFFRACTION ( 1.800 Å )
Citation :

Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.

Begley, D.W.,Hartley, R.C.,Davies, D.R.  et al.
(2011)  J Struct Funct Genomics  12 : 63 - 76

PubMed: 21359640
DOI: 10.1007/s10969-011-9102-6

Combining functional and structural genomics to sample the essential Burkholderia structome.

Baugh, L.,Gallagher, L.A.,Patrapuvich, R.  et al.
(2013)  Plos One  8 : e53851 - e53851

PubMed: 23382856
DOI: 10.1371/journal.pone.0053851

Reaction

Chain : A, B, C
UniProt : Q63T71 (ISPF_BURPS)
Reaction: EC: Evidence:
Physiological Direction:
4-CDP-2-C-methyl-D-erythritol 2-phosphate = 2-C-methyl-D- erythritol 2,4-cyclic diphosphate + CMP 4.6.1.12 HAMAP-Rule:MF_00107
-
Cofactor: Evidence: Note:
a divalent metal cation ECO:0000255 | HAMAP-Rule:MF_00107
ECO:0000269 | PubMed:21359640
ECO:0000269 | Ref.3
Binds 1 divalent metal cation per subunit.