Research workbench

Human butyrylcholinesterase in complex with ethopropazine

Analyse Human butyrylcholinesterase in complex with ethopropazine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6EQP
Type: protein
Length: 526 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cholinesterase
EC: 3.1.1.8
UniProt: P06276
Ligands: BUW, NAG, FUL, FUC, ZN, CL, SO4
Pockets: 7 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cholinesterase (EC 3.1.1.8)	protein	526	37% helix, 17% strand	P06276

Ligands and binding sites

BUW · R-ethopropazine · ligand · chains A
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A
FUL · beta-L-fucopyranose · sugar · 2 copies · chains A
FUC · alpha-L-fucopyranose · sugar · chains A
ZN · Zinc ion · metal · chains A
CL · Chloride ion · ion · 7 copies · chains A
SO4 · Sulfate ion · ion · chains A

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

Pockets

7 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	581	0.77	0.84	45	BUW, ZN
2	502	0.65	0.77	46	CL
3	80	0.46	0.81	15	empty
4	162	0.44	0.75	30	CL
5	77	0.44	0.81	15	empty

Modifications

Observed in the structure: 6 glycan, 3 disulfide (N-glycosylation, disulfide).

Compared structures

6EQP · Human butyrylcholinesterase in complex with ethopropazine · the same entry in another collection · chain A against A, TM-score 1.00
P06276 · AlphaFold monomer V2.0 prediction for cholinesterase (P06276) · 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 P06276
Elsewhere: RCSB PDB 6EQP · PDBe 6EQP · UniProt P06276

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