6EQS

Human Sirt5 in complex with stalled peptidylimidate intermediate of inhibitory compound 29

Summary for 6EQS

• Entry DOI: 10.2210/pdb6eqs/pdb
• Descriptor: NAD-dependent protein deacylase sirtuin-5, mitochondrial, ZINC ION, 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid, ... (7 entities in total)
• Functional Keywords: hydrolase, ptm, inhibitor, signaling protein
• Biological source: Homo sapiens (Human)
• Cellular location: Mitochondrion matrix. Isoform 1: Cytoplasm . Isoform 2: Mitochondrion : Q9NXA8
• Total number of polymer chains: 4
• Total formula weight: 126442.51

Authors

Pannek, M.,Steegborn, C. (deposition date: 2017-10-15, release date: 2017-11-01, Last modification date: 2024-01-17)

• Primary citation: Rajabi, N.,Auth, M.,Troelsen, K.R.,Pannek, M.,Bhatt, D.P.,Fontenas, M.,Hirschey, M.D.,Steegborn, C.,Madsen, A.S.,Olsen, C.A.; Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight.; Angew. Chem. Int. Ed. Engl., 56:14836-14841, 2017; PubMed: 29044784; DOI: 10.1002/anie.201709050

Experimental method

X-RAY DIFFRACTION (1.32 Å)