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3P8O

Crystal structure of HCV NS3/NS4A protease complexed with des-bromine analogue of BI 201335

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008236molecular_functionserine-type peptidase activity
A0019087biological_processtransformation of host cell by virus
B0006508biological_processproteolysis
B0008236molecular_functionserine-type peptidase activity
B0019087biological_processtransformation of host cell by virus
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 187
ChainResidue
AALA5
AALA111
AHOH196
AHOH197

site_idAC2
Number of Residues18
DetailsBINDING SITE FOR RESIDUE L5T A 188
ChainResidue
ALYS136
AGLY137
ASER138
ASER139
APHE154
AARG155
AALA156
AALA157
AVAL158
ACYS159
AASP168
AHOH209
AHOH216
ATYR56
AHIS57
AVAL78
AASP81
ALEU135

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA B 187
ChainResidue
BALA5
BALA111
BHOH193
BHOH207

site_idAC4
Number of Residues19
DetailsBINDING SITE FOR RESIDUE L5T B 188
ChainResidue
BTYR56
BHIS57
BVAL78
BASP81
BARG123
BVAL132
BLEU135
BLYS136
BGLY137
BSER138
BSER139
BPHE154
BARG155
BALA156
BALA157
BCYS159
BHOH208
BHOH220
BHOH222

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000305|PubMed:8389908, ECO:0000305|PubMed:8392606, ECO:0000305|PubMed:9060645
ChainResidueDetails
AHIS57
BHIS57

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000305|PubMed:8389908, ECO:0000305|PubMed:8392606
ChainResidueDetails
AASP81
BASP81

site_idSWS_FT_FI3
Number of Residues2
DetailsACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166
ChainResidueDetails
ASER139
BSER139

site_idSWS_FT_FI4
Number of Residues8
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:9060645
ChainResidueDetails
ACYS97
ACYS99
ACYS145
AHIS149
BCYS97
BCYS99
BCYS145
BHIS149

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PDB entries from 2024-10-09

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