Structure of PDB 3n76 Chain A

Receptor sequence
>3n76A (length=143) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
ELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVVRQ
SDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIEVH
ISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHV
3D structure
PDB3n76 Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
ChainA
Resolution1.9 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 R19 Y24 N75 G78 E99 H101 R108
Catalytic site (residue number reindexed from 1) P10 N11 R18 Y23 N74 G77 E98 H100 R107
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 CA2 A N12 R15 R19 Y24 N75 G77 G78 H81 H101 I102 S103 R112 N11 R14 R18 Y23 N74 G76 G77 H80 H100 I101 S102 R111 MOAD: Ki=0.14uM
PDBbind-CN: -logKd/Ki=6.85,Ki=0.14uM
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:3n76, PDBe:3n76, PDBj:3n76
PDBsum3n76
PubMed21410435
UniProtP9WPX7|AROQ_MYCTU 3-dehydroquinate dehydratase (Gene Name=aroQ)

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