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Ligand complex structure of soluble epoxide hydrolase

Analyse Ligand complex structure of soluble epoxide hydrolase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5AI4
Type: protein
Length: 546 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bifunctional epoxide hydrolase 2
UniProt: P34913
Ligands: 4VY
Pockets: 5 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bifunctional epoxide hydrolase 2	protein	546	46% helix, 14% strand	P34913

Ligands and binding sites

4VY · 2-[(5-bromo-2-pyridyl)-methyl-amino]ethanol · ligand · 2 copies · chains A
DMS · Dimethyl sulfoxide · additive · 6 copies · chains A
GOL · Glycerol · additive · 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	421	0.79	0.87	29	DMS, GOL, 4VY
2	226	0.74	0.88	28	4VY
3	246	0.68	0.84	33	empty
4	457	0.59	0.74	47	empty
5	52	0.29	0.75	14	empty

Compared structures

5AI4 · ligand complex structure of soluble epoxide hydrolase · 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 P34913
Elsewhere: RCSB PDB 5AI4 · PDBe 5AI4 · UniProt P34913

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