7ALE

Crystal structure of human PAICS in complex with inhibitor 69

Summary for 7ALE

• Entry DOI: 10.2210/pdb7ale/pdb
• Descriptor: Multifunctional protein ADE2, 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide, (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid (3 entities in total)
• Functional Keywords: de novo purine biosynthesis, nucleotide metabolism, cancer target, rational drug design, ligase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 96209.62

Authors

Skerlova, J.,Marttila, P.,Unterlass, J.,Jemth, A.-S.,Henriksson, M.,Wakchaure, P.,Grube, M.,Warpman Berglund, U.,Homan, E.,Helleday, T.,Stenmark, P. (deposition date: 2020-10-06, release date: 2022-04-20, Last modification date: 2024-01-31)

• Primary citation: Marttila, P.,Skerlova, J.,Unterlass, J.,Jemth, A.-S.,Henriksson, M.,Wakchaure, P.,Grube, M.,Warpman Berglund, U.,Homan, E.,Stenmark, P.,Helleday, T.; Cellular and biochemical validation of a potent PAICS inhibitor; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.95 Å)