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6FV2

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)

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
Functional Information from PDB Data
site_idAC1
Number of Residues5
Detailsbinding site for residue GOL A 401
ChainResidue
AMET6
ATYR117
ASER122
ASER138
ALYS295

site_idAC2
Number of Residues17
Detailsbinding site for residue D03 A 402
ChainResidue
APHE139
AASN141
AGLY142
AALA143
ACYS144
AHIS163
AGLN164
AILE165
AGLU166
AASP187
AGLN188
ASER190
AGLN192
AVAL26
AHIS41
AILE51
ATYR53

site_idAC3
Number of Residues2
Detailsbinding site for residue GOL B 401
ChainResidue
AARG224
BARG40

site_idAC4
Number of Residues9
Detailsbinding site for residue GOL C 401
ChainResidue
CLYS5
CMET6
CGLN8
CSER110
CPHE111
CASN112
CGLY126
CASN150
CGLU292

site_idAC5
Number of Residues18
Detailsbinding site for Di-peptide D03 B 402 and CYS B 144
ChainResidue
BLEU27
BASN28
BHIS41
BTHR47
BPHE139
BASN141
BGLY142
BALA143
BGLY145
BSER146
BHIS163
BGLN164
BILE165
BGLU166
BASP187
BGLN188
BSER190
BGLN192

site_idAC6
Number of Residues20
Detailsbinding site for Di-peptide D03 C 402 and CYS C 144
ChainResidue
CVAL26
CLEU27
CASN28
CHIS41
CTHR47
CILE51
CTYR53
CPHE139
CILE140
CASN141
CGLY142
CALA143
CGLY145
CSER146
CHIS163
CGLN164
CILE165
CGLU166
CASP187
CSER190

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772
ChainResidueDetails
AHIS41
ACYS144
BHIS41
BCYS144
CHIS41
CCYS144

218853

PDB entries from 2024-04-24

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