MolNFT v1 · #86579 · protein

Structure of a putative epoxide hydrolase T131D mutant from pseudomonas aeruginosa, with bound mfa

4BAU · Probable epoxide hydrolase: “Structure of a putative epoxide hydrolase T131D mutant from pseudomonas aeruginosa, with bound mfa”. X-ray diffraction, 3 ligands (FAH, SO4, CL), 1 pocket (best druggability 0.72). MolNFT v1 #86579 on…

PDB: 4BAU
Type: protein
Length: 295 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable epoxide hydrolase
UniProt: Q9I229
Ligands: FAH, SO4, CL
Pockets: 1 · best druggability 0.72

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Probable epoxide hydrolase	protein	295	47% helix, 18% strand	Q9I229

Ligands and binding sites

FAH · fluoroacetic acid · ligand · 6 copies · chains A
SO4 · Sulfate ion · ion · 10 copies · chains A
CL · Chloride ion · ion · 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	405	0.72	0.83	38	FAH, CL

Compared structures

4BAU · Structure of a putative epoxide hydrolase t131d mutant from Pseudomonas aeruginosa, 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 Q9I229
Elsewhere: RCSB PDB 4BAU · PDBe 4BAU · UniProt Q9I229

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