Reaction Details
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2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
Ligand
BDBM31916
Substrate
BDBM10852
Meas. Tech.
SPR Biosensor Assay
pH
7±n/a
Temperature
283.15±n/a K
Kd
1920±180 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:
BDBM31916
Synonyms:
Tryptophanhydroxamate, 13
Type:
Small organic molecule
Emp. Form.:
C11H13N3O2
Mol. Mass.:
219.2398
SMILES:
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
Structure:
Substrate