MolNFT v1 · #151217 · protein

Soluble epoxide hydrolase in complex with 1-(4-((4-(tert-butyl) morpholin-2-YL)METHOXY)PHENYL)-3-cyclohexylurea

6HGX · Bifunctional epoxide hydrolase 2: “Soluble epoxide hydrolase in complex with 1-(4-((4-(tert-butyl)…”. X-ray diffraction, 2 ligands (G3T, MG), 1 pocket (best druggability 0.82). MolNFT v1 #151217 on GenesisL1: 3D structure, binding…

PDB: 6HGX
Type: protein
Length: 319 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: G3T, MG
Pockets: 1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 44% 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	319	44% helix, 16% strand	P34913

Ligands and binding sites

G3T · 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea · 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

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	586	0.82	0.87	53	G3T

Compared structures

6HGX · Soluble epoxide hydrolase in complex with 1-(4-((4-(tert-butyl)morpholin-2-yl)methoxy)phen… · 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 6HGX · PDBe 6HGX · UniProt P34913

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