5d63

MOA-Z-VAD-fmk inhibitor complex, direct/inverted dual orientation

spinqualitylabelsall models 5d63, resolution 1.65Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5d63 is a 2 chain structure with sequence from Marasmius oreades and Synthetic construct. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.65Å Ligands: CA, CF0, CL, DMS, EDO, FUC, GAL, GLA, NA, PHQ Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function Q8X123_9AGAR Publication Abstract from PubMed Papain-like cysteine proteases (PLCPs) constitute the largest group of thiol-based protein degrading enzymes and are characterized by a highly conserved fold. They are found in bacteria, viruses, plants and animals and involved in a number of physiological and pathological processes, parasitic infections and host defense, making them interesting targets for drug design. The Marasmius oreades agglutinin (MOA) is a blood group B-specific fungal chimerolectin with calcium-dependent proteolytic activity. The proteolytic domain of MOA presents a unique structural arrangement, yet mimicking the main structural elements in known PLCPs. Here we present the X-ray crystal structure of MOA in complex with Z-VAD-fmk, an irreversible caspase inhibitor known to cross-react with PLCPs. The structural data allow modeling of the substrate binding geometry and mapping of the fundamental enzyme-substrate interactions. The new information consolidates MOA as a new, yet strongly atypical member of the papain superfamily. The reported complex is the first published structure of a PLCP in complex with the well characterized caspase inhibitor Z-VAD-fmk. An Unusual Member of the Papain Superfamily: Mapping the Catalytic Cleft of the Marasmius oreades agglutinin (MOA) with a Caspase Inhibitor.,Cordara G, van Eerde A, Grahn EM, Winter HC, Goldstein IJ, Krengel U PLoS One. 2016 Feb 22;11(2):e0149407. doi: 10.1371/journal.pone.0149407., eCollection 2016. PMID:26901797 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Agglutinin 3D structures

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