Structure of PDB 3n86 Chain V

Receptor sequence
>3n86V (length=144) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV
RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE
VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH
3D structure
PDB3n86 Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
ChainV
Resolution1.9 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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) P12 N13 R20 Y25 N76 G79 E100 H102 R109
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 RJP V D88 E92 D89 E93 MOAD: Ki=2.3uM
BS02 RJP V N12 R15 Y24 N75 G77 G78 H81 H101 I102 S103 R112 N13 R16 Y25 N76 G78 G79 H82 H102 I103 S104 R113 MOAD: Ki=2.3uM
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3n86, PDBe:3n86, PDBj:3n86
PDBsum3n86
PubMed21410435
UniProtP9WPX7|AROQ_MYCTU 3-dehydroquinate dehydratase (Gene Name=aroQ)

[Back to BioLiP]