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2HS2

Crystal structure of M46L mutant of HIV-1 protease complexed with TMC114 (darunavir)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
B0004190molecular_functionaspartic-type endopeptidase activity
B0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 501
ChainResidue
ALEU38
AGLY40
BLYS155

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 502
ChainResidue
AVAL11
ATHR12
BLYS107

site_idAC3
Number of Residues24
DetailsBINDING SITE FOR RESIDUE 017 A 201
ChainResidue
AASP29
AASP30
AGLY48
AGLY49
AILE50
APRO81
AVAL82
AILE84
AHOH1118
AHOH1211
BASP125
BGLY127
BALA128
BASP129
BASP130
BVAL132
BGLY148
BGLY149
BILE150
BPRO181
BILE184
AASP25
AGLY27
AALA28

site_idAC4
Number of Residues20
DetailsBINDING SITE FOR RESIDUE 017 B 203
ChainResidue
ATRP6
AARG41
AHOH1104
AHOH1136
AHOH1208
BTRP142
BPRO144
BLYS145
BLYS155
BVAL156
BARG157
BGLY168
BVAL177
BGLY178
BGLN192
BGLY194
BHOH1017
BHOH1076
BHOH1116
BHOH1175

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DMS B 801
ChainResidue
ATRP6
BTRP142
BARG157
BHOH1017
BHOH1175

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

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI2
Number of Residues20
DetailsRegion: {"description":"Dimerization of protease","evidences":[{"source":"UniProtKB","id":"P04585","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsActive site: {"description":"For protease activity; shared with dimeric partner","evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12924029","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
ATHR26
BTHR126
BASP125

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
BASP125

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PDB entries from 2025-09-24

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