Structure of PDB 2y76 Chain A

Receptor sequence
>2y76A (length=136) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
ELIVNVINGPNLGRLGRGGTTHDELVALIEREAAELGLKAVVRQSDSEAQ
LLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIEVHISNVHA
REEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH
3D structure
PDB2y76 A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
ChainA
Resolution2.5 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) P11 N12 N75 G78 E99 H101 R108
Catalytic site (residue number reindexed from 1) P10 N11 N68 G71 E92 H94 R101
Enzyme Commision number 4.2.1.10: 3-dehydroquinate dehydratase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 CB7 A N12 L13 N75 G77 G78 H81 H101 I102 S103 R112 N11 L12 N68 G70 G71 H74 H94 I95 S96 R105 MOAD: Ki=440nM
PDBbind-CN: -logKd/Ki=6.36,Ki=440nM
Gene Ontology
Molecular Function
GO:0003855 3-dehydroquinate dehydratase activity
GO:0016829 lyase activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0009423 chorismate biosynthetic process
GO:0019631 quinate catabolic process
Cellular Component
GO:0005829 cytosol

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External links
PDB RCSB:2y76, PDBe:2y76, PDBj:2y76
PDBsum2y76
PubMed21780742
UniProtP9WPX7|AROQ_MYCTU 3-dehydroquinate dehydratase (Gene Name=aroQ)

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