9HQH

SARM1 TIR domain in complex with compound 28-ADPR

This is a non-PDB format compatible entry.

Summary for 9HQH

• Entry DOI: 10.2210/pdb9hqh/pdb
• Descriptor: NAD(+) hydrolase SARM1, [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{R})-1-[[(3~{R})-4,4-bis(fluoranyl)oxolan-3-yl]carbamoyl-methyl-amino]-2-phenoxy-ethyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate (3 entities in total)
• Functional Keywords: hydrolase, nad, axonal degeneration
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 34941.16

Authors

Giroud, M.,Kuhn, B.,Steiner, S.,Westwood, P.,Mendel, M.,Mani, A.,Pinard, E.,Haap, W.,Grether, U.,Caramenti, P.,Rombach, D.,Zambaldo, C.,Ritter, M.,Schmid, P.,Gasser, C.,Aregger, N.,Sechet, N.,Topp, A.,Bilyard, M.,Malnight-Alvarez, A.,Plitzko, I.,Hilbert, M.,Kalayil, S.,Burger, D.,Bonardi, C.,Saal, W.,Haider, A.,Wittwer, M.,Brigo, A.,Keaney, J.,Benz, J. (deposition date: 2024-12-16, release date: 2025-12-24)

• Primary citation: Giroud, M.,Kuhn, B.,Steiner, S.,Westwood, P.,Mendel, M.,Mani, A.,Pinard, E.,Haap, W.,Grether, U.,Caramenti, P.,Rombach, D.,Zambaldo, C.,Ritter, M.,Schmid, P.,Gasser, C.,Aregger, N.,Sechet, N.,Topp, A.,Bilyard, M.,Malnight-Alvarez, A.,Plitzko, I.,Hilbert, M.,Kalayil, S.,Burger, D.,Bonardi, C.,Saal, W.,Haider, A.,Wittwer, M.,Brigo, A.,Keaney, J.,Benz, J.; SARM1 TIR domain in complex with compounds; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.988 Å)