MolNFT v1 · #191434 · protein

Crystal structure of 3-dehydroquinate dehydratase I from klebsiella oxytoca (I23 form)

8DQB: “Crystal structure of 3-dehydroquinate dehydratase I from klebsiella oxytoca (I23 form)”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.72). MolNFT v1 #191434 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 8DQB
Type: protein
Length: 370 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-dehydroquinate dehydratase I
UniProt: A0A8F3UXX5
Ligands: ZN
Pockets: 5 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-dehydroquinate dehydratase I	protein	370	32% helix, 24% strand	A0A8F3UXX5

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	691	0.72	0.78	57	empty
2	221	0.61	0.81	27	empty
3	183	0.53	0.78	25	empty
4	122	0.39	0.73	13	empty
5	74	0.29	0.73	18	empty

Compared structures

8DQB · Crystal structure of 3-dehydroquinate dehydratase I from Klebsiella oxytoca (I23 Form) · 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 A0A8F3UXX5
Elsewhere: RCSB PDB 8DQB · PDBe 8DQB · UniProt A0A8F3UXX5

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