7e5v

Crystal structure of Phm7 in complex with inhibitor

spinqualitylabelsall models 7e5v, resolution 1.61Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 7e5v is a 3 chain structure with sequence from Pyrenochaetopsis sp.. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.61Å Ligands: GOL, HZC, SO4 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function PHM7_PYRSX Diels-Alderase; part of the gene cluster that mediates the biosynthesis of the trans-fused decalin-containing tetramic acid phomasetin, the stereochemical opposite of the HIV-1 integrase inhibitor equisetin (PubMed:29972614). The PKS module of phm1 together with the enoylreductase phm4 catalyze the formation of the polyketide unit which is then conjugated to L-serine by the condensation domain of the phm1 NRPS module (PubMed:29972614). Activity of the Dieckmann cyclase domain (RED) of phm1 results in release of the Dieckmann product intermediate (PubMed:29972614). The Diels-Alderase phm7 then uses the Dieckmann product of phm1 as substrate and catalyzes the Diels-Alder cycloaddition to form the decalin ring of N-desmethylphomasetin (PubMed:29972614, PubMed:34121297). N-desmethylphomasetin is further methylated to phomasetin by the methyltransferase phm5 (PubMed:29972614).

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