eF-site ID 6cxs-A PDB Code 6cxs Chain A 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 A:  SNAMLYPIITESRQLIDLSGIWKFKLNEGNGLTEELSKAP LEDTIEMAVPSSYNDLVESQEVRDHVGWVWYERNFTIPKT LLNERIVLRFGSATHEAKVYLNGELLVEHKGGFTPFEAEI NDLLVSGDNRLTVAVNNIIDETTLPVGLVKEVEVDGKKVI KNSVNFDFFNYAGIHRPVKIYTTPKSYIEDITIVTDFKEN NGYVNYEVQAVGKCNIKVTIIDEENNIVAEGEGKEGKLTI NNVHLWEPMNAYLYKLKVELLDDEEIIDTYFEEFGVRTVE VKDGKFLINNKPFYFKGFGKHEDSYVNGRGINEAINIKDF NLMKWIGANSFRTSHYPYSEEIMRLADREGIVVIDETPAV GLHLNFMATGFPKRDTWKEIGTKEAHERILRELVSRDKNH PCVVMWSVANEPDSDSEGAKEYFEPLIKLTKELDPQKRPV TVVTYLMSTPDRCKVGDIVDVLCLNRYYGWYVAGGDLEEA KRMLEDELKGWEERCPKTPIMFTEYGADTVAGLHDTVPVM FTEEYQVEYYKANHEVMDKCKNFVGEQVWNFADFATSQGI IRVQGNKKGIFTRERKPKMIAHSLRERWTNIPEFGYKK Description Functional site 1) chain A residue 363 type sequence F description binding site for residue FJV A 601 source : AC1 2) chain A residue 364 type sequence M description binding site for residue FJV A 601 source : AC1 3) chain A residue 368 type sequence F description binding site for residue FJV A 601 source : AC1 4) chain A residue 412 type sequence E description binding site for residue FJV A 601 source : AC1 5) chain A residue 447 type sequence L description binding site for residue FJV A 601 source : AC1 6) chain A residue 472 type sequence Y description binding site for residue FJV A 601 source : AC1 7) chain A residue 562 type sequence I description binding site for residue FJV A 601 source : AC1 8) chain A residue 563 type sequence R description binding site for residue FJV A 601 source : AC1 9) chain A residue 398-412 type prosite sequence DKNHPCVVMWSVANE description GLYCOSYL_HYDROL_F2_2 Glycosyl hydrolases family 2 acid/base catalyst. DKNHPCVVMWSva.NE source prosite : PS00608 10) chain A residue 326-351 type prosite sequence NSFRTSHYPYSEEIMRLADREGIVVI description GLYCOSYL_HYDROL_F2_1 Glycosyl hydrolases family 2 signature 1. NsFRTSHYPyseeIMrlaDreGIVVI source prosite : PS00719 11) chain A residue 412 type ACT_SITE sequence E description Proton donor => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI1 12) chain A residue 505 type ACT_SITE sequence E description Nucleophile => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI2 13) chain A residue 164 type BINDING sequence D description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3 14) chain A residue 411 type BINDING sequence N description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3 15) chain A residue 466 type BINDING sequence N description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3 16) chain A residue 472 type BINDING sequence Y description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3 17) chain A residue 505 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3 18) chain A residue 550 type BINDING sequence W description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3 19) chain A residue 569 type BINDING sequence K description BINDING => ECO:0000250|UniProtKB:P05804 source Swiss-Prot : SWS_FT_FI3

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