8GOD

Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589

Summary for 8GOD

• Entry DOI: 10.2210/pdb8god/pdb
• Descriptor: Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone (3 entities in total)
• Functional Keywords: small molecule inhibitor, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 77801.07

Authors

Swaminathan, S.,Birudukota, S.,Vaithilingam, K.,Kandan, S.,Asaithambi, K.,Kathiresan, N.,Gosu, R.,Rajagopal, S.,Sadhu, N. (deposition date: 2022-08-24, release date: 2023-03-29, Last modification date: 2023-11-29)

• Primary citation: Gajendran, C.,Fukui, S.,Sadhu, N.M.,Zainuddin, M.,Rajagopal, S.,Gosu, R.,Gutch, S.,Fukui, S.,Sheehy, C.E.,Chu, L.,Vishwakarma, S.,Jeyaraj, D.A.,Hallur, G.,Wagner, D.D.,Sivanandhan, D.; Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.; Sci Rep, 13:3189-3189, 2023; PubMed: 36823444; DOI: 10.1038/s41598-023-30246-2

Experimental method

X-RAY DIFFRACTION (2.88 Å)