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3S53

HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P212121

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0042802molecular_functionidentical protein binding
B0004190molecular_functionaspartic-type endopeptidase activity
B0006508biological_processproteolysis
B0042802molecular_functionidentical protein binding
Functional Information from PDB Data
site_idAC1
Number of Residues17
DetailsBINDING SITE FOR RESIDUE 017 A 201
ChainResidue
AASP25
BASP25
BGLY27
BALA28
BASP30
BILE32
BGLY48
BGLY49
BPRO81
AGLY27
AALA28
AASP29
AASP30
AGLY48
AILE50
AILE82
AHOH1074

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 A 801
ChainResidue
APHE99
AHOH1101
BLYS43
BPRO44
BLYS45

site_idAC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 902
ChainResidue
ATHR12

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE IOD A 903
ChainResidue
ALYS7
AHOH1037
AHOH1065
BTHR12

site_idAC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 904
ChainResidue
AARG57

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE IOD A 905
ChainResidue
ATHR12
AGLU65
AGLY68

site_idAC7
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD A 906
ChainResidue
AASN83

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD A 910
ChainResidue
AASN83
AHOH1126

site_idAC9
Number of Residues19
DetailsBINDING SITE FOR RESIDUE 017 B 203
ChainResidue
ATRP6
AARG41
BTHR12
BLEU19
BTRP42
BPRO44
BLYS45
BLYS55
BVAL56
BARG57
BVAL77
BGLY94
BIOD908
BIOD909
BHOH1010
BHOH1072
BHOH1073
BHOH1075
BHOH1125

site_idBC1
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD B 901
ChainResidue
BLYS55

site_idBC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE IOD B 907
ChainResidue
BGLU65

site_idBC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD B 908
ChainResidue
BGLY68
B017203

site_idBC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD B 909
ChainResidue
B017203
BHOH1125

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTII
ChainResidueDetails
AALA22-ILE33

219869

PDB entries from 2024-05-15

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