eF-site ID 6cxs-B PDB Code 6cxs Chain B click to enlarge Title Crystal Structure of Clostridium perfringens beta-glucuronidase bound with a novel, potent inhibitor 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine Classification HYDROLASE/HYDROLASE INHIBITOR Compound Beta-glucuronidase Source (MALE_ECOLI) Sequence B:  SNAMLYPIITESRQLIDLSGIWKFKLNEGNGLTEELSKAP LEDTIEMAVPSSYNDLVESQEVRDHVGWVWYERNFTIPKT LLNERIVLRFGSATHEAKVYLNGELLVEHKGGFTPFEAEI NDLLVSGDNRLTVAVNNIIDETTLPVGLVKEVEVDGKKVI KNSVNFDFFNYAGIHRPVKIYTTPKSYIEDITIVTDFKEN NGYVNYEVQAVGKCNIKVTIIDEENNIVAEGEGKEGKLTI NNVHLWEPMNAYLYKLKVELLDDEEIIDTYFEEFGVRTVE VKDGKFLINNKPFYFKGFGKHEDSYVNGRGINEAINIKDF NLMKWIGANSFRTSHYPYSEEIMRLADREGIVVIDETPAV GLHLNFMATGFAPKRDTWKEIGTKEAHERILRELVSRDKN HPCVVMWSVANEPDSDSEGAKEYFEPLIKLTKELDPQKRP VTVVTYLMSTPDRCKVGDIVDVLCLNRYYGWYVAGGDLEE AKRMLEDELKGWEERCPKTPIMFTEYGADTVAGLHDTVPV MFTEEYQVEYYKANHEVMDKCKNFVGEQVWNFADFATSQG IIRVQGNKKGIFTRERKPKMIAHSLRERWTNIPEFGYKK Description Functional site 1) chain B residue 364 type sequence M description binding site for residue FJV B 601 source : AC2 2) chain B residue 368 type sequence F description binding site for residue FJV B 601 source : AC2 3) chain B residue 412 type sequence E description binding site for residue FJV B 601 source : AC2 4) chain B residue 447 type sequence L description binding site for residue FJV B 601 source : AC2 5) chain B residue 448 type sequence M description binding site for residue FJV B 601 source : AC2 6) chain B residue 472 type sequence Y description binding site for residue FJV B 601 source : AC2 7) chain B residue 412 type ACT_SITE sequence E description Proton donor => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI1 8) chain B residue 505 type ACT_SITE sequence E description Nucleophile => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI2 9) chain B residue 466 type BINDING sequence N description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3 10) chain B residue 472 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3 11) chain B residue 505 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3 12) chain B residue 550 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3 13) chain B residue 569 type BINDING sequence K description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3 14) chain B residue 164 type BINDING sequence D description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3 15) chain B residue 411 type BINDING sequence N description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3

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