MolNFT v1 · #157626 · protein

Crystal structure of an epoxide hydrolase from trichoderma reesei in complex with inhibitor 3

6N5F · Epoxide hydrolase treh: “Crystal structure of an epoxide hydrolase from trichoderma reesei in complex with inhibitor 3”. X-ray diffraction, 1 ligand (KJ1), 1 pocket (best druggability 0.75). MolNFT v1 #157626 on GenesisL1: 3D…

PDB: 6N5F
Type: protein
Length: 336 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Epoxide hydrolase treh
Ligands: KJ1
Pockets: 1 · best druggability 0.75

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Epoxide hydrolase treh	protein	336	42% helix, 17% strand	—

Ligands and binding sites

KJ1 · N-(8-amino-8-oxooctyl)nonanamide · 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	516	0.75	0.83	53	KJ1

Compared structures

6N5F · Crystal structure of an epoxide hydrolase from Trichoderma reesei 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
Elsewhere: RCSB PDB 6N5F · PDBe 6N5F

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.