ISDA: 9RGC

Deposition Date 2025-06-06

Release Date 2026-05-27

Last Version Date 2026-05-27

Entry Detail

PDB ID:

9RGC

Keywords:

HYDROLASE

Title:

Recombinant Human Butyrylcholinesterase in complex with LP1488 (7-[(4-{[(3,4-dimethoxybenzyl)(methyl)amino]methyl}benzyl)oxy]-4-(hydroxymethyl)-2H-chromen-2-one)

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Cricetulus griseus

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.36 Å

R-Value Free:

0.21

R-Value Work:

0.17

R-Value Observed:

0.17

Space Group:

I 4 2 2

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Macromolecular Entities

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:Cholinesterase
Gene (Uniprot):BCHE
Mutagens:N17Q, N455Q, N481Q, N486Q mutations compared to mature wild type sequence to avoid too much N-glycozylation. Numeration on the maturated enzyme (devoid of the signal peptide)
Chain IDs:A
Chain Length:529
Number of Molecules:1
Biological Source:Homo sapiens

UniProt ID:P06276 Pfam ID:PF00135 EC:3.1.1.8

Ligand Molecules

A1JF0

GOL

MES

NAG

SIA

SO4

Primary Citation

Leveraging multitargeting BChE-MAO B inhibitors against microglia-related neuroinflammation: in vitro biological evaluation, structure-activity relationships, drug-like properties, and X-ray crystal complexes

Rullo, M, La Spada, G, Brazzolotto, X, Marchese, S, El Idrissi, I.G, Miciaccia, M, Colella, M, Brea, J.M, Macchia, E, Loza, M.I, Gottinger, A, Scilimati, A, Perrone, M.G, Stefanachi, A, Binda, C, Leonetti, F, Pisani, L.Show

Eur.J.Med.Chem. ? 118961 ? (2026)

DOI: 10.1016/j.ejmech.2026.118961

Primary Citation of related structures

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