MolNFT v1 · #131675 · protein

Crystal structure of endothiapepsin-NAT17-347144 complex

5QBK: “Crystal structure of endothiapepsin-NAT17-347144 complex”. X-ray diffraction, 1 ligand (D97), 1 pocket (best druggability 0.60). MolNFT v1 #131675 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5QBK
Type: protein
Length: 330 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endothiapepsin
EC: 3.4.23.22
UniProt: P11838
Ligands: D97
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Endothiapepsin (EC 3.4.23.22)	protein	330	12% helix, 45% strand	P11838

Ligands and binding sites

D97 · (1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol · ligand · 2 copies · chains A
DMS · Dimethyl sulfoxide · additive · 2 copies · 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	384	0.60	0.76	42	DMS, D97

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

P11838 · AlphaFold monomer V2.0 prediction for endothiapepsin (P11838) · a predicted model of the same protein · 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 P11838
Elsewhere: RCSB PDB 5QBK · PDBe 5QBK · UniProt P11838

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