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 Cited by PubMed: 32859757DOI: 10.1073/pnas.2010317117 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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