ISDA: 30PV

Deposition Date 2026-05-07

Release Date 2026-09-30

Last Version Date 2026-09-30

Entry Detail

PDB ID:

30PV

Keywords:

HYDROLASE

Title:

TxGH116 complex with a beta-d-Arabinofuranose-configured cyclitol aziridine

Biological Source:

Source Organism(s):

Thermoanaerobacterium xylanolyticum LX-11 (Taxon ID: 858215)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.75 Å

R-Value Free:

0.21

R-Value Work:

0.18

Space Group:

P 21 21 2

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Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Glucosylceramidase
Gene (Uniprot):Thexy_2211
Chain IDs:A
Chain Length:0
Number of Molecules:1
Biological Source:Thermoanaerobacterium xylanolyticum LX-11

UniProt ID:F6BL85 EC:3.2.1.45

Ligand Molecules

A1J9P

EDO

SO4

Primary Citation

Beta-D-Arabinofuranose-configured cyclitol aziridines as selective, brain-penetrant covalent GBA2 inhibitors

Lammers, R.F, Su, Q, Mazo, L, Offen, W.A, Ottenhoff, R, Bulterman, M.J, van der Lienden, M, Ferraz, M.J, Kuellmer, F, Ilhan, Z, van den Elst, H, van der Made, I, van Roomen, C.P.A.A, de Jongh, A, van der Nieuwendijk, A.M.C.H, Boot, R.G, Zelcer, N, Davies, G.J, Rovira, C, Overkleeft, H.S, Aerts, J.M.F.G, Artola, M.Show

To Be Published ? ? ? (2026)

DOI: 10.1021/jacs.6c09754

Primary Citation of related structures

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