7N7X

Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution

This is a non-PDB format compatible entry.

Summary for 7N7X

• Entry DOI: 10.2210/pdb7n7x/pdb
• Related: 2ANW 2ANY 5tjx
• Descriptor: Plasma kallikrein light chain, Orladeyo, PHOSPHATE ION, ... (4 entities in total)
• Functional Keywords: kallikrein, blood, plasma, plasma kallikrein-mediated edema, acute hereditary angioedema, hae, hmwk, hereditary angioedema, haw, bradykinin, fletcher factor, kininogenin, serine protease, edema, orladeyo, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 27326.90

Authors

Krishnan, R.,Yarlagadda, B.S.,Kotian, P.,Polach, K.J.,Zhang, W. (deposition date: 2021-06-11, release date: 2021-09-15, Last modification date: 2023-10-18)

• Primary citation: Kotian, P.L.,Wu, M.,Vadlakonda, S.,Chintareddy, V.,Lu, P.,Juarez, L.,Kellogg-Yelder, D.,Chen, X.,Muppa, S.,Chambers-Wilson, R.,Davis Parker, C.,Williams, J.,Polach, K.J.,Zhang, W.,Raman, K.,Babu, Y.S.; Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE).; J.Med.Chem., 64:12453-12468, 2021; PubMed: 34436898; DOI: 10.1021/acs.jmedchem.1c00511

Experimental method

X-RAY DIFFRACTION (2.097 Å)