MolNFT v1 · #88040 · protein

Crystal structure of mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-hydroxymethylcyclohex- 2-ene-1-carboxylic acid

4CIV · 3-dehydroquinate dehydratase: “Crystal structure of mycobacterium tuberculosis type 2 dehydroquinase in complex with…”. X-ray diffraction, 1 ligand (48P), 1 pocket (best druggability 0.43). MolNFT v1 #88040 on GenesisL1: 3D…

PDB: 4CIV
Type: protein
Length: 137 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: 48P
Pockets: 1 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-dehydroquinate dehydratase (EC 4.2.1.10)	protein	137	44% helix, 18% strand	P0A4Z6

Ligands and binding sites

48P · (1R,4R,5R)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	68	0.43	0.81	17	48P

Compared structures

4CIV · Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P0A4Z6
Elsewhere: RCSB PDB 4CIV · PDBe 4CIV · UniProt P0A4Z6

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