Structure of PDB 2y71 Chain A

Receptor sequence
>2y71A (length=138) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
LIVNVINGPNLGRLGPAVYGGTTHDELVALIEREAAELGLKAVVRQSDSE
AQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIEVHISNV
HAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH
3D structure
PDB2y71 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 Y24 N75 G78 E99 H101 R108
Catalytic site (residue number reindexed from 1) P9 N10 Y19 N70 G73 E94 H96 R103
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 CB6 A N12 R15 Y24 N75 G77 G78 H81 H101 I102 S103 R112 N10 R13 Y19 N70 G72 G73 H76 H96 I97 S98 R107 MOAD: Ki=42.5nM
PDBbind-CN: -logKd/Ki=7.37,Ki=42.5nM
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:2y71, PDBe:2y71, PDBj:2y71
PDBsum2y71
PubMed21780742
UniProtP9WPX7|AROQ_MYCTU 3-dehydroquinate dehydratase (Gene Name=aroQ)

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