6E69

Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments

Summary for 6E69

Entry DOI	10.2210/pdb6e69/pdb
Related	5ABW
Descriptor	Neutrophil elastase, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (6 entities in total)
Functional Keywords	neutrophil, elastase, fragment, inhibitor, sulfonyl fluoride, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	4
Total formula weight	98013.42
Authors	Wolan, D.W.,Woehl, J.L.,Kitamura, S. (deposition date: 2018-07-24, release date: 2019-07-24, Last modification date: 2023-10-11)
Primary citation	Zheng, Q.,Woehl, J.L.,Kitamura, S.,Santos-Martins, D.,Smedley, C.J.,Li, G.,Forli, S.,Moses, J.E.,Wolan, D.W.,Sharpless, K.B. SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase. Proc.Natl.Acad.Sci.USA, 116:18808-18814, 2019 Cited by PubMed: 31484779 DOI: 10.1073/pnas.1909972116 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.33 Å)

Structure validation