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Structure of the mycobacterium tuberculosis type II dehydroquinase inhibited by a 3-dehydroquinic acid derivative

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PDB: 4CL0
Type: protein
Length: 140 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-dehydroquinate dehydratase
EC: 4.2.1.10
UniProt: P0A4Z6
Ligands: 9PY
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-dehydroquinate dehydratase (EC 4.2.1.10)	protein	140	47% helix, 18% strand	P0A4Z6

Ligands and binding sites

9PY · (2R)-2-methyl-3-dehydroquinic acid · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	55	0.51	0.87	16	9PY

Compared structures

4CL0 · Structure of the Mycobacterium tuberculosis Type II Dehydroquinase inhibited by a… · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt P0A4Z6
Elsewhere: RCSB PDB 4CL0 · PDBe 4CL0 · UniProt P0A4Z6

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