9G7H

Human Sirt6 in complex with ADP-ribose and the inhibitor 2-Pr

This is a non-PDB format compatible entry.

Summary for 9G7H

• Entry DOI: 10.2210/pdb9g7h/pdb
• Descriptor: NAD-dependent protein deacetylase sirtuin-6, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE, ZINC ION, ... (6 entities in total)
• Functional Keywords: deacylase, inhibitor, dna-encoded chemical libraries, acyl binding pocket, aging, gene regulation
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 69726.60

Authors

You, W.,Steegborn, C. (deposition date: 2024-07-21, release date: 2024-08-14)

• Primary citation: You, W.,Montoya, A.L.,Dana, S.,Franzini, R.M.,Steegborn, C.; Elucidating the Unconventional Binding Mode of a DNA-Encoded Library Hit Provides a Blueprint for Sirtuin 6 Inhibitor Development.; Chemmedchem, :e202400273-e202400273, 2024; PubMed: 38940296; DOI: 10.1002/cmdc.202400273

Experimental method

X-RAY DIFFRACTION (1.75 Å)