MolNFT v1 · #96567 · protein

Soluble epoxide hydrolase complexed with a carboxamide inhibitor

4JNC · Bifunctional epoxide hydrolase 2: “Soluble epoxide hydrolase complexed with a carboxamide inhibitor”. X-ray diffraction, 1 ligand (1LF), 1 pocket (best druggability 0.84). MolNFT v1 #96567 on GenesisL1: 3D structure, binding sites…

PDB: 4JNC
Type: protein
Length: 312 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: 1LF
Pockets: 1 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bifunctional epoxide hydrolase 2 (EC 3.3.2.10, 3.1.3.76)	protein	312	42% helix, 16% strand	P34913

Ligands and binding sites

1LF · 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide · ligand · 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	631	0.84	0.88	53	1LF

Compared structures

4JNC · Soluble Epoxide Hydrolase complexed with a carboxamide inhibitor · 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 4JNC · PDBe 4JNC · UniProt P34913

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