MolNFT v1 · #110641 · protein

Structure of soluble epoxide hydrolase in complex with 3-[4- (BENZYLOXY)PHENYL]PROPAN-1-ol

4Y2T · Bifunctional epoxide hydrolase 2: “Structure of soluble epoxide hydrolase in complex with 3-[4- (BENZYLOXY)PHENYL]PROPAN-1-ol”. X-ray diffraction, 2 ligands (49Q, MG), 5 pockets (best druggability 0.78). MolNFT v1 #110641 on…

PDB: 4Y2T
Type: protein
Length: 546 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bifunctional epoxide hydrolase 2
EC: 3.3.2.10
UniProt: P34913
Ligands: 49Q, MG
Pockets: 5 · best druggability 0.78

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bifunctional epoxide hydrolase 2 (EC 3.3.2.10)	protein	546	46% helix, 14% strand	P34913

Ligands and binding sites

49Q · 3-[4-(benzyloxy)phenyl]propan-1-ol · ligand · chains A
MG · Magnesium ion · metal · 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	369	0.78	0.88	29	49Q
2	189	0.73	0.89	27	empty
3	204	0.63	0.83	31	MG
4	448	0.59	0.74	38	empty
5	50	0.26	0.74	14	empty

Compared structures

4Y2T · Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol · 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 4Y2T · PDBe 4Y2T · UniProt P34913

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