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3KEE

HCV NS3/NS4A complexed with Non-covalent macrocyclic compound TMC435

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
C0006508biological_processproteolysis
C0008236molecular_functionserine-type peptidase activity
C0019087biological_processtransformation of host cell by virus
D0006508biological_processproteolysis
D0008236molecular_functionserine-type peptidase activity
D0019087biological_processtransformation of host cell by virus
Functional Information from PDB Data
site_idAC1
Number of Residues21
DetailsBINDING SITE FOR RESIDUE 30B A 500
ChainResidue
AGLN41
ALEU135
ALYS136
AGLY137
ASER139
APHE154
AARG155
AALA156
AALA157
ACYS159
AASP168
APHE43
CASP79
C30B500
ATYR56
AHIS57
AGLY58
AVAL78
AASP79
AASP81
AVAL132

site_idAC2
Number of Residues18
DetailsBINDING SITE FOR RESIDUE 30B B 500
ChainResidue
BGLN41
BPHE43
BTYR56
BHIS57
BGLY58
BASP81
BLEU135
BLYS136
BGLY137
BSER138
BSER139
BPHE154
BARG155
BALA156
BALA157
BHOH197
DVAL78
D30B500

site_idAC3
Number of Residues17
DetailsBINDING SITE FOR RESIDUE 30B C 500
ChainResidue
AVAL78
A30B500
CGLN41
CPHE43
CTYR56
CHIS57
CGLY58
CASP79
CASP81
CLEU135
CLYS136
CGLY137
CSER139
CPHE154
CARG155
CALA156
CALA157

site_idAC4
Number of Residues21
DetailsBINDING SITE FOR RESIDUE 30B D 500
ChainResidue
BASP79
B30B500
DGLN41
DPHE43
DTYR56
DHIS57
DGLY58
DVAL78
DASP79
DASP81
DVAL132
DLEU135
DLYS136
DGLY137
DSER139
DPHE154
DARG155
DALA156
DALA157
DASP168
DHOH195

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 2000
ChainResidue
ACYS97
ACYS99
ACYS145
AHOH190

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 2000
ChainResidue
BCYS97
BCYS99
BCYS145
BHOH190

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 2000
ChainResidue
CCYS97
CCYS99
CCYS145
CHOH190

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN D 2000
ChainResidue
DCYS97
DCYS99
DCYS145
DHOH190

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL C 3968
ChainResidue
AARG109
AARG109
AHIS110
CARG109
CARG109
CHIS110

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL D 3968
ChainResidue
BARG109
BARG109
BHIS110
DARG109
DARG109
DHIS110
DHIS110

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PDB entries from 2024-07-10

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