MolNFT v1 · #19750 · protein

Acetylcholinesterase (E.C.3.1.1.7)

1QTI: “Acetylcholinesterase (E.C.3.1.1.7)”. X-ray diffraction, 1 ligand (GNT), 4 pockets (best druggability 0.78). MolNFT v1 #19750 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1QTI
Type: protein
Length: 527 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acetylcholinesterase
EC: 3.1.1.7
UniProt: P04058
Ligands: GNT
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acetylcholinesterase (EC 3.1.1.7)	protein	527	38% helix, 17% strand	P04058

Ligands and binding sites

GNT · (-)-galanthamine · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	369	0.78	0.87	37	GNT
2	338	0.57	0.76	34	empty
3	128	0.46	0.77	14	empty
4	61	0.34	0.77	13	empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

1QTI · Acetylcholinesterase (E.C.3.1.1.7) · the same entry in another collection · chain A against A, TM-score 1.00
P04058 · AlphaFold monomer V2.0 prediction for acetylcholinesterase (P04058) · 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 P04058
Elsewhere: RCSB PDB 1QTI · PDBe 1QTI · UniProt P04058

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