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Structure of soluble epoxide hydrolase in complex with N-[(1-methyl- 1H-pyrazol-3-YL)METHYL]-2-phenylethanamine

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PDB: 4Y2J
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, 3.1.3.76
UniProt: P34913
Ligands: 49G, MG
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	Bifunctional epoxide hydrolase 2 (EC 3.3.2.10, 3.1.3.76)	protein	546	47% helix, 14% strand	P34913

Ligands and binding sites

49G · N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine · 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

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	396	0.78	0.87	32	49G
2	200	0.74	0.89	25	49G
3	451	0.59	0.74	38	empty
4	176	0.56	0.80	28	MG

Compared structures

4Y2J · Structure of soluble epoxide hydrolase in complex 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 P34913
Elsewhere: RCSB PDB 4Y2J · PDBe 4Y2J · UniProt P34913

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