MolNFT v1 · #75031 · protein

Crystal structure of a soluble form of human mgll in complex with an inhibitor

3PE6 · Monoglyceride lipase: “Crystal structure of a soluble form of human mgll in complex with an inhibitor”. X-ray diffraction, 1 ligand (ZYH), 1 pocket (best druggability 0.77). MolNFT v1 #75031 on GenesisL1: 3D structure, binding sites…

PDB: 3PE6
Type: protein
Length: 289 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Monoglyceride lipase
EC: 3.1.1.23
UniProt: Q6IBG9
Ligands: ZYH
Pockets: 1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Monoglyceride lipase (EC 3.1.1.23)	protein	289	42% helix, 17% strand	Q6IBG9

Ligands and binding sites

ZYH · (2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone · 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	377	0.77	0.87	42	ZYH

Compared structures

3PE6 · Crystal Structure of a soluble form of human MGLL in complex with an 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 Q6IBG9
Elsewhere: RCSB PDB 3PE6 · PDBe 3PE6 · UniProt Q6IBG9

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