MolNFT v1 · #86578 · protein

Structure of a putative epoxide hydrolase T131D mutant from pseudomonas aeruginosa.

4BAT · Probable epoxide hydrolase: “Structure of a putative epoxide hydrolase T131D mutant from pseudomonas aeruginosa.”. X-ray diffraction, 2 ligands (SO4, CL), 1 pocket (best druggability 0.73). MolNFT v1 #86578 on GenesisL1: 3D…

PDB: 4BAT
Type: protein
Length: 296 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable epoxide hydrolase
UniProt: Q9I229
Ligands: SO4, CL
Pockets: 1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Probable epoxide hydrolase	protein	296	46% helix, 18% strand	Q9I229

Ligands and binding sites

SO4 · Sulfate ion · ion · 8 copies · chains A
CL · Chloride ion · ion · chains A
GOL · Glycerol · additive · 2 copies · 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	400	0.73	0.84	35	SO4, CL

Compared structures

4BAT · Structure of a putative epoxide hydrolase t131d mutant from Pseudomonas aeruginosa. · 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 4BAT · PDBe 4BAT · UniProt Q9I229

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