eF-site ID 5r7y-A PDB Code 5r7y Chain A click to enlarge Title PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z45617795 Classification HYDROLASE/HYDROLASE INHIBITOR Compound 3C-like proteinase Source (R1AB_SARS2) Sequence A:  SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPR HVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGH SMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNG SPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFC YMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTI TVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYE PLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRT ILGSALLEDEFTPFDVVRQCSGVT Description Functional site 1) chain A residue 41 type sequence H description binding site for residue JFM A 1001 source : AC1 2) chain A residue 44 type sequence C description binding site for residue JFM A 1001 source : AC1 3) chain A residue 46 type sequence S description binding site for residue JFM A 1001 source : AC1 4) chain A residue 49 type sequence M description binding site for residue JFM A 1001 source : AC1 5) chain A residue 164 type sequence H description binding site for residue JFM A 1001 source : AC1 6) chain A residue 165 type sequence M description binding site for residue JFM A 1001 source : AC1 7) chain A residue 188 type sequence R description binding site for residue JFM A 1001 source : AC1 8) chain A residue 189 type sequence Q description binding site for residue JFM A 1001 source : AC1 9) chain A residue 74 type sequence Q description binding site for residue DMS A 1002 source : AC2 10) chain A residue 75 type sequence L description binding site for residue DMS A 1002 source : AC2 11) chain A residue 76 type sequence R description binding site for residue DMS A 1002 source : AC2 12) chain A residue 224 type sequence T description binding site for residue DMS A 1002 source : AC2 13) chain A residue 263 type sequence D description binding site for residue DMS A 1002 source : AC2 14) chain A residue 6 type sequence M description binding site for residue DMS A 1003 source : AC3 15) chain A residue 123 type sequence S description binding site for residue DMS A 1003 source : AC3 16) chain A residue 127 type sequence Q description binding site for residue DMS A 1003 source : AC3 17) chain A residue 298 type sequence R description binding site for residue DMS A 1003 source : AC3 18) chain A residue 15 type sequence G description binding site for residue DMS A 1004 source : AC4 19) chain A residue 17 type sequence M description binding site for residue DMS A 1004 source : AC4 20) chain A residue 140 type sequence F description binding site for residue DMS A 1005 source : AC5 21) chain A residue 141 type sequence L description binding site for residue DMS A 1005 source : AC5 22) chain A residue 163 type sequence H description binding site for residue DMS A 1005 source : AC5 23) chain A residue 165 type sequence M description binding site for residue DMS A 1005 source : AC5 24) chain A residue 166 type sequence E description binding site for residue DMS A 1005 source : AC5 25) chain A residue 143 type sequence G description binding site for residue CL A 1006 source : AC6 26) chain A residue 144 type sequence S description binding site for residue CL A 1006 source : AC6 27) chain A residue 145 type sequence C description binding site for residue CL A 1006 source : AC6 28) 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 29) 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

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