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5NH0

Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide tert-Butyl ((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)b- utan-2-yl)carbamate (tert-butyl -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 Residues15
Detailsbinding site for residue 8X8 A 301
ChainResidue
AVAL26
AGLN164
AILE165
AGLU166
AASP187
APRO189
AHOH449
AHIS41
ATHR47
APHE139
AASN141
AGLY142
AALA143
ACYS144
AHIS163

site_idAC2
Number of Residues2
Detailsbinding site for residue DMS A 302
ChainResidue
AASP202
ATYR248

site_idAC3
Number of Residues1
Detailsbinding site for residue DMS A 303
ChainResidue
AARG130

site_idAC4
Number of Residues14
Detailsbinding site for residue 8X8 B 401
ChainResidue
BVAL26
BHIS41
BTHR47
BPHE139
BASN141
BGLY142
BALA143
BCYS144
BHIS163
BGLN164
BILE165
BGLU166
BASP187
BGLN188

site_idAC5
Number of Residues14
Detailsbinding site for residue 8X8 C 301
ChainResidue
CVAL26
CHIS41
CTHR47
CPHE139
CASN141
CGLY142
CALA143
CCYS144
CHIS163
CGLN164
CGLU166
CASP187
CGLN188
CPRO189

site_idAC6
Number of Residues8
Detailsbinding site for residue GOL C 302
ChainResidue
BTYR117
BSER122
BHOH504
CMET6
CLYS295
CHOH418
CHOH422
CHOH472

site_idAC7
Number of Residues9
Detailsbinding site for residue GOL C 303
ChainResidue
CLYS5
CMET6
CGLN8
CSER110
CPHE111
CASN112
CGLY126
CASN150
CGLU292

site_idAC8
Number of Residues1
Detailsbinding site for residue DMS C 304
ChainResidue
CARG130

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

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PDB entries from 2025-06-18

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