Brand  (β version)

PDB ID: 3FBA

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Ligands
Code Name Style Show Link
C6B [(2s,3s,4r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate PoSSuM
GOL Glycerol PoSSuM
GPP Geranyl diphosphate PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3FBA   PDBj   RCSB PDB   PDBe
Header : LYASE
Title : Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand
Release Data : 2009-08-25
Compound :
mol_id molecule chains synonym
1 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase A MECPS, MECDP-synthase
ec: 4.6.1.12
Source :
mol_id organism_scientific expression_system
1 Escherichia coli  (taxid:83333) Escherichia coli  (taxid:562)
gene: ispF
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET15b
Authors : Hunter, W.N., Ramsden, N.L.
Keywords : MECDP-synthase, lyase, Isoprene biosynthesis, Magnesium, Manganese, Metal-binding
Exp. method : X-RAY DIFFRACTION ( 3.100 Å )
Citation :

A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy

Ramsden, N.L.,Buetow, L.,Dawson, A.  et al.
(2009)  J.Med.Chem.  52 : 2531 - 2542

PubMed: 19320487
DOI: 10.1021/jm801475n

Reaction

Chain : A
UniProt : P62617 (ISPF_ECOLI)
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, PubMed:10694574, PubMed:22839733
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4-CDP-2-C-methyl-D-erythritol = 2-C-methyl-D-erythritol 3,4- cyclophosphate + CMP + H(+) - PubMed:10694574
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