3F6E

Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor 3-PKB

Summary for 3F6E

• Entry DOI: 10.2210/pdb3f6e/pdb
• Related: 3F6B
• Descriptor: Benzoylformate decarboxylase, MAGNESIUM ION, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium, ... (4 entities in total)
• Functional Keywords: thiamin adduct, aromatic hydrocarbons catabolism, calcium, decarboxylase, lyase, magnesium, mandelate pathway, metal-binding, thiamine pyrophosphate
• Biological source: Pseudomonas putida
• Total number of polymer chains: 1
• Total formula weight: 56626.00

Authors

Brandt, G.S.,McLeish, M.J.,Kenyon, G.L.,Petsko, G.A.,Ringe, D.,Jordan, F. (deposition date: 2008-11-05, release date: 2008-12-09, Last modification date: 2023-09-06)

• Primary citation: Chakraborty, S.,Nemeria, N.S.,Balakrishnan, A.,Brandt, G.S.,Kneen, M.M.,Yep, A.,McLeish, M.J.,Kenyon, G.L.,Petsko, G.A.,Ringe, D.,Jordan, F.; Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase.; Biochemistry, 48:981-994, 2009; PubMed: 19140682; DOI: 10.1021/bi801810h

Experimental method

X-RAY DIFFRACTION (1.34 Å)