Structure of PDB 2y77 Chain A

Receptor sequence
>2y77A (length=134) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
LIVNVINGPNLGRLGRGTTHDELVALIEREAAELGLKAVVRQSDSEAQLL
DWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIEVHISNVHARE
EFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH
3D structure
PDB2y77 A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
ChainA
Resolution1.5 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) P9 N10 N66 G69 E90 H92 R99
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 CB8 A N12 N75 G77 G78 H81 H101 I102 S103 R112 N10 N66 G68 G69 H72 H92 I93 S94 R103 MOAD: Ki=250nM
PDBbind-CN: -logKd/Ki=6.60,Ki=250nM
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:2y77, PDBe:2y77, PDBj:2y77
PDBsum2y77
PubMed21780742
UniProtP9WPX7|AROQ_MYCTU 3-dehydroquinate dehydratase (Gene Name=aroQ)

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