eF-site ID 6fv2-ABC PDB Code 6fv2 Chain A, B, C click to enlarge Title Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl) Classification HYDROLASE Compound 3C-like proteinase Source (R1AB_CVHNL) Sequence A:  SGLKKMAQPSGCVERCVVRVCYGSTVLNGVWLGDTVTCPR HVIAPSTTVLIDYDHAYSTMRLHNFSVSHNGVFLGVVGVT MHGSVLRIKVSQSNVHTPKHVFKTLKPGDSFNILACYEGI ASGVFGVNLRTNFTIKGSFINGACGSPGYNVRNDGTVEFC YLHQIELGSGAHVGSDFTGSVYGNFDDQPSLQVESANLML SDNVVAFLYAALLNGCRWWLCSTRVNVDGFNEWAMANGYT SVSSVECYSILAAKTGVSVEQLLASIQHLHEGFGGKNILG YSSLCDEFTLAEVVKQMYGVN B:  SGLKKMAQPSGCVERCVVRVCYGSTVLNGVWLGDTVTCPR HVIAPSTTVLIDYDHAYSTMRLHNFSVSHNGVFLGVVGVT MHGSVLRIKVSQSNVHTPKHVFKTLKPGDSFNILACYEGI ASGVFGVNLRTNFTIKGSFINGACGSPGYNVRNDGTVEFC YLHQIELGSGAHVGSDFTGSVYGNFDDQPSLQVESANLML SDNVVAFLYAALLNGCRWWLCSTRVNVDGFNEWAMANGYT SVSSVECYSILAAKTGVSVEQLLASIQHLHEGFGGKNILG YSSLCDEFTLAEVVKQMYG C:  SGLKKMAQPSGCVERCVVRVCYGSTVLNGVWLGDTVTCPR HVIAPSTTVLIDYDHAYSTMRLHNFSVSHNGVFLGVVGVT MHGSVLRIKVSQSNVHTPKHVFKTLKPGDSFNILACYEGI ASGVFGVNLRTNFTIKGSFINGACGSPGYNVRNDGTVEFC YLHQIELGSGAHVGSDFTGSVYGNFDDQPSLQVESANLML SDNVVAFLYAALLNGCRWWLCSTRVNVDGFNEWAMANGYT SVSSVECYSILAAKTGVSVEQLLASIQHLHEGFGGKNILG YSSLCDEFTLAEVVKQMYG Description (1)  Replicase polyprotein 1ab (E.C.3.4.19.12,3.4.22.69,3.4.22.-,2.7.7.48,3.6.4.12,3.6.4.13,2.1.1.-,3.1.13.-,3.1.-.-) Functional site 1) chain A residue 6 type sequence M description binding site for residue GOL A 401 source : AC1 2) chain A residue 117 type sequence Y description binding site for residue GOL A 401 source : AC1 3) chain A residue 122 type sequence S description binding site for residue GOL A 401 source : AC1 4) chain A residue 138 type sequence S description binding site for residue GOL A 401 source : AC1 5) chain A residue 295 type sequence K description binding site for residue GOL A 401 source : AC1 6) chain A residue 26 type sequence V description binding site for residue D03 A 402 source : AC2 7) chain A residue 41 type sequence H description binding site for residue D03 A 402 source : AC2 8) chain A residue 51 type sequence I description binding site for residue D03 A 402 source : AC2 9) chain A residue 53 type sequence Y description binding site for residue D03 A 402 source : AC2 10) chain A residue 139 type sequence F description binding site for residue D03 A 402 source : AC2 11) chain A residue 141 type sequence N description binding site for residue D03 A 402 source : AC2 12) chain A residue 142 type sequence G description binding site for residue D03 A 402 source : AC2 13) chain A residue 143 type sequence A description binding site for residue D03 A 402 source : AC2 14) chain A residue 144 type sequence C description binding site for residue D03 A 402 source : AC2 15) chain A residue 163 type sequence H description binding site for residue D03 A 402 source : AC2 16) chain A residue 164 type sequence Q description binding site for residue D03 A 402 source : AC2 17) chain A residue 165 type sequence I description binding site for residue D03 A 402 source : AC2 18) chain A residue 166 type sequence E description binding site for residue D03 A 402 source : AC2 19) chain A residue 187 type sequence D description binding site for residue D03 A 402 source : AC2 20) chain A residue 188 type sequence Q description binding site for residue D03 A 402 source : AC2 21) chain A residue 190 type sequence S description binding site for residue D03 A 402 source : AC2 22) chain A residue 192 type sequence Q description binding site for residue D03 A 402 source : AC2 23) chain A residue 224 type sequence R description binding site for residue GOL B 401 source : AC3 24) chain B residue 40 type sequence R description binding site for residue GOL B 401 source : AC3 25) chain C residue 5 type sequence K description binding site for residue GOL C 401 source : AC4 26) chain C residue 6 type sequence M description binding site for residue GOL C 401 source : AC4 27) chain C residue 8 type sequence Q description binding site for residue GOL C 401 source : AC4 28) chain C residue 110 type sequence S description binding site for residue GOL C 401 source : AC4 29) chain C residue 111 type sequence F description binding site for residue GOL C 401 source : AC4 30) chain C residue 112 type sequence N description binding site for residue GOL C 401 source : AC4 31) chain C residue 126 type sequence G description binding site for residue GOL C 401 source : AC4 32) chain C residue 150 type sequence N description binding site for residue GOL C 401 source : AC4 33) chain C residue 292 type sequence E description binding site for residue GOL C 401 source : AC4 34) chain B residue 27 type sequence L description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 35) chain B residue 28 type sequence N description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 36) chain B residue 41 type sequence H description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 37) chain B residue 47 type sequence T description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 38) chain B residue 139 type sequence F description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 39) chain B residue 141 type sequence N description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 40) chain B residue 142 type sequence G description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 41) chain B residue 143 type sequence A description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 42) chain B residue 145 type sequence G description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 43) chain B residue 146 type sequence S description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 44) chain B residue 163 type sequence H description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 45) chain B residue 164 type sequence Q description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 46) chain B residue 165 type sequence I description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 47) chain B residue 166 type sequence E description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 48) chain B residue 187 type sequence D description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 49) chain B residue 188 type sequence Q description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 50) chain B residue 190 type sequence S description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 51) chain B residue 192 type sequence Q description binding site for Di-peptide D03 B 402 and CYS B 144 source : AC5 52) chain C residue 26 type sequence V description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 53) chain C residue 27 type sequence L description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 54) chain C residue 28 type sequence N description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 55) chain C residue 41 type sequence H description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 56) chain C residue 47 type sequence T description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 57) chain C residue 51 type sequence I description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 58) chain C residue 53 type sequence Y description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 59) chain C residue 139 type sequence F description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 60) chain C residue 140 type sequence I description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 61) chain C residue 141 type sequence N description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 62) chain C residue 142 type sequence G description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 63) chain C residue 143 type sequence A description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 64) chain C residue 145 type sequence G description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 65) chain C residue 146 type sequence S description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 66) chain C residue 163 type sequence H description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 67) chain C residue 164 type sequence Q description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 68) chain C residue 165 type sequence I description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 69) chain C residue 166 type sequence E description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 70) chain C residue 187 type sequence D description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 71) chain C residue 190 type sequence S description binding site for Di-peptide D03 C 402 and CYS C 144 source : AC6 72) chain A residue 41 type ACT_SITE sequence H description For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772 source Swiss-Prot : SWS_FT_FI1 73) chain A residue 144 type ACT_SITE sequence C description For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772 source Swiss-Prot : SWS_FT_FI1 74) chain B residue 41 type ACT_SITE sequence H description For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772 source Swiss-Prot : SWS_FT_FI1 75) chain B residue 144 type ACT_SITE sequence C description For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772 source Swiss-Prot : SWS_FT_FI1 76) chain C residue 41 type ACT_SITE sequence H description For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772 source Swiss-Prot : SWS_FT_FI1 77) chain C residue 144 type ACT_SITE sequence C description For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772 source Swiss-Prot : SWS_FT_FI1

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