MolNFT v1 · #74828 · protein

Crystal structure enoyl-CoA hydratase from mycobacterium avium

3P85: “Crystal structure enoyl-CoA hydratase from mycobacterium avium”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.53). MolNFT v1 #74828 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3P85
Type: protein
Length: 224 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enoyl-CoA hydratase
UniProt: A0QIX8
Ligands: CA
Pockets: 3 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Enoyl-CoA hydratase	protein	224	47% helix, 19% strand	A0QIX8

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A
ACT · Acetate ion · additive · chains A
CAC · Cacodylate ion · additive · chains A
1PE · Pentaethylene glycol · additive · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

3 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	163	0.53	0.79	26	CAC
2	247	0.52	0.76	41	empty
3	86	0.36	0.75	19	empty

Compared structures

3P85 · Crystal structure enoyl-coa hydratase from mycobacterium avium · 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 A0QIX8
Elsewhere: RCSB PDB 3P85 · PDBe 3P85 · UniProt A0QIX8

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