9R40

HaloTag bound to compound MRC71

This is a non-PDB format compatible entry.

Summary for 9R40

• Entry DOI: 10.2210/pdb9r40/pdb
• Descriptor: Haloalkane dehalogenase, CHLORIDE ION, (2~{S},4~{S})-1-[(3~{S})-3-azanyl-3-(2-methoxyphenyl)propanoyl]-~{N}-[(2~{R})-1-[2-[2-[2-[2-(6-chloranylhexoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]-4-cyclohexyl-pyrrolidine-2-carboxamide, ... (4 entities in total)
• Functional Keywords: trim21, e3 ligase, protac, pryspry, ligase, halotag
• Biological source: Rhodococcus sp. (in: high G+C Gram-positive bacteria)
• Total number of polymer chains: 1
• Total formula weight: 35658.70

Authors

Luptak, J. (deposition date: 2025-05-06, release date: 2025-10-08)

• Primary citation: Luptak, J.,James, L.C.; Development of TRIM21 PROTAC molecules; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.043 Å)