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6N4N

Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex

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
C0005975biological_processcarbohydrate metabolic process
F0005975biological_processcarbohydrate metabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue ZN A 1201
ChainResidue
ACYS1097
ACYS1099
ACYS1145
AHIS1149

site_idAC2
Number of Residues22
Detailsbinding site for residue TSV A 1202
ChainResidue
ALYS1136
AGLY1137
ASER1138
AALA1139
APHE1154
AARG1155
AALA1156
AALA1157
AASP1168
AHOH1311
AHOH1332
AHOH1338
FPHE131
FMET176
FVAL179
FLEU180
FTYR183
APHE1043
AHIS1057
AASP1079
AASP1081
ALEU1135

site_idAC3
Number of Residues5
Detailsbinding site for residue SO4 A 1203
ChainResidue
ALYS989
AGLY990
ATHR1038
AALA1039
AARG1062

site_idAC4
Number of Residues5
Detailsbinding site for residue SO4 A 1204
ChainResidue
ALYS1080
AASP1121
AARG1155
APRO1171
ASER1174

site_idAC5
Number of Residues4
Detailsbinding site for residue ZN B 1201
ChainResidue
BCYS1097
BCYS1099
BCYS1145
BHIS1149

site_idAC6
Number of Residues22
Detailsbinding site for residue TSV B 1202
ChainResidue
BPHE1043
BHIS1057
BGLY1058
BASP1079
BASP1081
BLEU1135
BLYS1136
BGLY1137
BSER1138
BALA1139
BPHE1154
BARG1155
BALA1156
BALA1157
BASP1168
BHOH1309
BHOH1333
BHOH1335
CMET176
CVAL179
CLEU180
CTYR183

site_idAC7
Number of Residues4
Detailsbinding site for residue SO4 B 1203
ChainResidue
BGLY990
BTHR1038
BALA1039
BARG1062

site_idAC8
Number of Residues6
Detailsbinding site for residue SO4 B 1204
ChainResidue
BLYS1080
BSER1122
BARG1155
BILE1170
BPRO1171
BSER1174

site_idAC9
Number of Residues3
Detailsbinding site for residue SO4 C 301
ChainResidue
CARG31
CPRO86
CARG89

site_idAD1
Number of Residues4
Detailsbinding site for residue SO4 F 301
ChainResidue
FARG31
FPRO86
FARG89
FHOH426

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166
ChainResidueDetails
AHIS1057
AASP1081
AALA1139
BHIS1057
BASP1081
BALA1139

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01166
ChainResidueDetails
BCYS1145
BHIS1149
ACYS1097
ACYS1099
ACYS1145
AHIS1149
BCYS1097
BCYS1099

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PDB entries from 2024-04-17

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