eF-site ID 3iwm-A PDB Code 3iwm Chain A click to enlarge Title The octameric SARS-CoV main protease Classification HYDROLASE Compound 3C-like proteinase Source null (3IWM) Sequence A:  SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPR HVICTAEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGH SMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYNG SPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDYDCVSFC YMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAGTDTTI TLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYE PLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRT ILGSTILEDEFTPFDVVRQCS Description Functional site 1) chain A residue 25 type sequence T description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 2) chain A residue 26 type sequence T description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 3) chain A residue 27 type sequence L description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 4) chain A residue 41 type sequence H description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 5) chain A residue 140 type sequence F description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 6) chain A residue 141 type sequence L description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 7) chain A residue 142 type sequence N description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 8) chain A residue 143 type sequence G description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 9) chain A residue 145 type sequence C description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 10) chain A residue 163 type sequence H description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 11) chain A residue 164 type sequence H description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 12) chain A residue 165 type sequence M description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 13) chain A residue 166 type sequence E description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 14) chain A residue 168 type sequence P description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 15) chain A residue 187 type sequence D description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 16) chain A residue 188 type sequence R description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 17) chain A residue 189 type sequence Q description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 18) chain A residue 190 type sequence T description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 19) chain A residue 191 type sequence A description BINDING SITE FOR CHAIN H OF N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~- ((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3- YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE source : AC1 20) 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 21) chain A residue 145 type ACT_SITE sequence C description For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772 source Swiss-Prot : SWS_FT_FI1 22) chain A residue 145 type catalytic sequence C description 830 source MCSA : MCSA1 23) chain A residue 41 type catalytic sequence H description 830 source MCSA : MCSA1 24) chain A residue 143 type catalytic sequence G description 830 source MCSA : MCSA1

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