1gqh
QUERCETIN 2,3-DIOXYGENASE IN COMPLEX WITH THE INHIBITOR KOJIC ACID
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OverviewOverview
The crystal structures of the copper-dependent Aspergillus japonicus, quercetin 2,3-dioxygenase (2,3QD) complexed with the inhibitors, diethyldithiocarbamate (DDC) and kojic acid (KOJ) are reported at 1.70 and, 2.15 A resolution, respectively. Both inhibitors asymmetrically chelate, the metal center and assume a common orientation in the active site cleft., Their molecular plane blocks access to the inner portion of the cavity, which is lined by the side chains of residues Met51, Thr53, Phe75, Phe114, and Met123 and which is believed to bind the flavonol B-ring of the, natural substrate. The binding of the inhibitors brings order into the, mixed coordination observed in the native enzyme. DDC and KOJ induce a, single conformation of the Glu73 side chain, although in different ways., In ... [(full description)]
About this StructureAbout this Structure
1GQH is a [Single protein] structure of sequence from [Aspergillus japonicus] with NAG, CU and KOJ as [ligands]. Active as [[1]], with EC number [1.13.11.24]. Full crystallographic information is available from [OCA].
ReferenceReference
Functional analysis of the copper-dependent quercetin 2,3-dioxygenase. 1. Ligand-induced coordination changes probed by X-ray crystallography: inhibition, ordering effect, and mechanistic insights., Steiner RA, Kooter IM, Dijkstra BW, Biochemistry. 2002 Jun 25;41(25):7955-62. PMID:12069585
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