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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: 5AKX
Type: protein
Length: 546 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Soluble epoxide hydrolase
UniProt: P34913
Ligands: 8NY, SO4
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Soluble epoxide hydrolase	protein	546	47% helix, 14% strand	P34913

Ligands and binding sites

8NY · 5-iodanyl-1H-indazole · ligand · chains A
SO4 · Sulfate ion · ion · chains A
DMS · Dimethyl sulfoxide · additive · 2 copies · chains A

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

Pockets

4 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	399	0.78	0.86	29	DMS
2	313	0.73	0.85	40	empty
3	194	0.72	0.88	28	8NY
4	456	0.59	0.74	36	empty

Compared structures

5AKX · 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 5AKX · PDBe 5AKX · UniProt P34913

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