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3IWM

The octameric SARS-CoV main protease

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
B0008233molecular_functionpeptidase activity
B0019082biological_processviral protein processing
C0008233molecular_functionpeptidase activity
C0019082biological_processviral protein processing
D0008233molecular_functionpeptidase activity
D0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues19
DetailsBINDING 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
ChainResidue
ATHR25
AHIS163
AHIS164
AMET165
AGLU166
APRO168
AASP187
AARG188
AGLN189
ATHR190
AALA191
ATHR26
ALEU27
AHIS41
APHE140
ALEU141
AASN142
AGLY143
ACYS145

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR CHAIN F 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
ChainResidue
BTHR25
BHIS41
BPHE140
BASN142
BGLY143
BCYS145
BHIS163
BHIS164
BMET165
BGLU166
BPRO168
BGLN189
BTHR190
BGLN192
CTHR24

site_idAC3
Number of Residues18
DetailsBINDING SITE FOR CHAIN G 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
ChainResidue
BTHR24
CLEU27
CHIS41
CMET49
CPHE140
CASN142
CGLY143
CCYS145
CHIS163
CHIS164
CMET165
CGLU166
CLEU167
CPRO168
CARG188
CGLN189
CTHR190
CALA191

site_idAC4
Number of Residues19
DetailsBINDING SITE FOR CHAIN E 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
ChainResidue
DTHR26
DHIS41
DPHE140
DLEU141
DASN142
DGLY143
DCYS145
DHIS163
DHIS164
DMET165
DGLU166
DLEU167
DPRO168
DASP187
DARG188
DGLN189
DTHR190
DALA191
DGLN192

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772
ChainResidueDetails
AHIS41
ACYS145
BHIS41
BCYS145
CHIS41
CCYS145
DHIS41
DCYS145

site_idSWS_FT_FI2
Number of Residues4
DetailsSITE: Cleavage; by 3CL-PRO => ECO:0000269|PubMed:14561748
ChainResidueDetails
AGLN306
BGLN306
CGLN306
DGLN306

Catalytic Information from CSA
site_idMCSA1
Number of Residues3
DetailsM-CSA 830
ChainResidueDetails
AHIS41proton acceptor, proton donor
AGLY143electrostatic stabiliser
ACYS145electrostatic stabiliser

site_idMCSA2
Number of Residues3
DetailsM-CSA 830
ChainResidueDetails
BHIS41proton acceptor, proton donor
BGLY143electrostatic stabiliser
BCYS145electrostatic stabiliser

site_idMCSA3
Number of Residues3
DetailsM-CSA 830
ChainResidueDetails
CHIS41proton acceptor, proton donor
CGLY143electrostatic stabiliser
CCYS145electrostatic stabiliser

site_idMCSA4
Number of Residues3
DetailsM-CSA 830
ChainResidueDetails
DHIS41proton acceptor, proton donor
DGLY143electrostatic stabiliser
DCYS145electrostatic stabiliser

218853

數據於2024-04-24公開中

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