eF-site ID 6xbi-A PDB Code 6xbi Chain A click to enlarge Title Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248 Classification HYDROLASE/HYDROLASE INHIBITOR Compound 3C-like proteinase Source (6XBI) Sequence A:  MSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCP RHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIG HSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYN GSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSF CYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTT ITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNY EPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGR TILGSALLEDEFTPFDVVRQCSGVTFQ Description Functional site 1) chain A residue 228 type sequence N description binding site for residue GOL A 501 source : AC1 2) chain A residue 231 type sequence N description binding site for residue GOL A 501 source : AC1 3) chain A residue 232 type sequence L description binding site for residue GOL A 501 source : AC1 4) chain A residue 103 type sequence F description binding site for residue GOL A 502 source : AC2 5) chain A residue 178 type sequence E description binding site for residue GOL A 502 source : AC2 6) chain A residue 226 type sequence T description binding site for residue NA A 503 source : AC3 7) chain A residue 227 type sequence L description binding site for residue NA A 503 source : AC3 8) chain A residue 123 type sequence S description binding site for residue DMS B 501 source : AC4 9) chain A residue 41 type ACT_SITE sequence H description For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000305|PubMed:32198291 source Swiss-Prot : SWS_FT_FI1 10) chain A residue 145 type ACT_SITE sequence C description Nucleophile; for 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000269|PubMed:32198291 source Swiss-Prot : SWS_FT_FI2 11) chain A residue 306 type SITE sequence Q description Cleavage; by 3CL-PRO => ECO:0000250|UniProtKB:P0C6V3 source Swiss-Prot : SWS_FT_FI3

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