MolNFT v1 · #103453 · protein

Structure of 3-dehydroquinate dehydratase from enterococcus faecalis

4PH6: “Structure of 3-dehydroquinate dehydratase from enterococcus faecalis”. X-ray diffraction, 5 pockets (best druggability 0.52). MolNFT v1 #103453 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4PH6
Type: protein
Length: 480 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-dehydroquinate dehydratase
EC: 4.2.1.10
UniProt: P36923
Pockets: 5 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	3-dehydroquinate dehydratase (EC 4.2.1.10)	protein	240	44% helix, 20% strand	P36923

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	226	0.52	0.76	26	empty
2	175	0.51	0.78	27	empty
3	64	0.38	0.79	18	empty
4	62	0.38	0.80	20	empty
5	69	0.31	0.74	21	empty

Interfaces

1 interface between chains.

A–B · 1027 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

4PH6 · Structure of 3-Dehydroquinate Dehydratase from Enterococcus faecalis · the same entry in another collection · chain A against A, TM-score 1.00
P36923 · AlphaFold monomer V2.0 prediction for 3-dehydroquinate dehydratase (P36923) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P36923
Elsewhere: RCSB PDB 4PH6 · PDBe 4PH6 · UniProt P36923

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