6Y1N

Crystal structure of the phosphonate-modified A.5 antibody FAB fragment

Summary for 6Y1N

• Entry DOI: 10.2210/pdb6y1n/pdb
• Descriptor: FAB A.5 Heavy chain, FAB A.5 Light Chain, 8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE, ... (4 entities in total)
• Functional Keywords: qm/mm computation; designed biocatalysts; bioscavengers; phosphoryl transfer; organophosphorus agents; stereospecificity, immune system
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 54418.97

Authors

Chatziefthimiou, S.,Mokrushina, Y.,Smirnov, I.,Gabibov, A.,Wilmanns, M. (deposition date: 2020-02-12, release date: 2020-09-23, Last modification date: 2024-01-24)

• Primary citation: Mokrushina, Y.A.,Golovin, A.V.,Smirnov, I.V.,Chatziefthimiou, S.D.,Stepanova, A.V.,Bobik, T.V.,Zalevsky, A.O.,Zlobin, A.S.,Konovalov, K.A.,Terekhov, S.S.,Stepanov, A.V.,Pipiya, S.O.,Shamborant, O.G.,Round, E.,Belogurov Jr., A.A.,Bourenkov, G.,Makarov, A.A.,Wilmanns, M.,Xie, J.,Blackburn, G.M.,Gabibov, A.G.,Lerner, R.A.; Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers.; Proc.Natl.Acad.Sci.USA, 117:22841-22848, 2020; PubMed: 32859757; DOI: 10.1073/pnas.2010317117

Experimental method

X-RAY DIFFRACTION (2.2 Å)