Reaction Details
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2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
Ligand
BDBM31914
Substrate
BDBM10852
Meas. Tech.
SPR Biosensor Assay
pH
7±n/a
Temperature
283.15±n/a K
Kd
2020000±420000 nM
Citation
Ramsden, NL; Buetow, L; Dawson, A; Kemp, LA; Ulaganathan, V; Brenk, R; Klebe, G; Hunter, WN A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy. J Med Chem 52:2531-42 (2009) [PubMed] Article More Info.:
Target
Name:
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
Synonyms:
2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF) | ISPF_ECOLI | MECDP-synthase | MECPS | ispF | mecS | ygbB
Type:
Homotrimer
Mol. Mass.:
16897.34
Organism:
Escherichia coli (strain K12)
Description:
P62617
Residue:
159
Sequence:
MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK
Inhibitor
Name:
BDBM31914
Synonyms:
4-amino-1-[(2R,3R,4S,5R)-3, 4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one | 5-fluorocytidine | FLUC
Type:
n/a
Emp. Form.:
C9H12FN3O5
Mol. Mass.:
261.2071
SMILES:
Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Structure:
Substrate