7AEL

alpha 1-antitrypsin (C232S) complexed with GSK716

This is a non-PDB format compatible entry.

Summary for 7AEL

• Entry DOI: 10.2210/pdb7ael/pdb
• Descriptor: Alpha-1-antitrypsin, ~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: serpin, serine protease inhibitor, protein binding
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 46062.16

Authors

Chung, C. (deposition date: 2020-09-17, release date: 2021-03-10, Last modification date: 2021-03-17)

• Primary citation: Lomas, D.A.,Irving, J.A.,Arico-Muendel, C.,Belyanskaya, S.,Brewster, A.,Brown, M.,Chung, C.W.,Dave, H.,Denis, A.,Dodic, N.,Dossang, A.,Eddershaw, P.,Klimaszewska, D.,Haq, I.,Holmes, D.S.,Hutchinson, J.P.,Jagger, A.M.,Jakhria, T.,Jigorel, E.,Liddle, J.,Lind, K.,Marciniak, S.J.,Messer, J.,Neu, M.,Olszewski, A.,Ordonez, A.,Ronzoni, R.,Rowedder, J.,Rudiger, M.,Skinner, S.,Smith, K.J.,Terry, R.,Trottet, L.,Uings, I.,Wilson, S.,Zhu, Z.,Pearce, A.C.; Development of a small molecule that corrects misfolding and increases secretion of Z alpha 1 -antitrypsin.; Embo Mol Med, 13:e13167-e13167, 2021; PubMed: 33512066; DOI: 10.15252/emmm.202013167

Experimental method

X-RAY DIFFRACTION (1.76 Å)