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2QD6

HIV-1 Protease Mutant I50V with potent Antiviral inhibitor GRL-98065

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 Residues6
DetailsBINDING SITE FOR RESIDUE NA A 500
ChainResidue
AASP60
AHOH512
AHOH521
AHOH530
AHOH533
AHOH549

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 501
ChainResidue
ATHR74
AASN88
BARG141

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 802
ChainResidue
BPRO139
BARG141
BTYR159
BASP160
BHOH873

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT B 803
ChainResidue
BTHR191
BHOH819
BHOH859

site_idAC5
Number of Residues26
DetailsBINDING SITE FOR RESIDUE 065 B 404
ChainResidue
AARG8
AASP25
AGLY27
AALA28
AASP29
AASP30
AGLY48
AGLY49
APRO81
AILE84
BARG108
BLEU123
BASP125
BGLY127
BALA128
BASP129
BASP130
BILE147
BGLY148
BGLY149
BPRO181
BILE184
BHOH817
BHOH818
BHOH882
BHOH883

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_FI1
Number of Residues2
DetailsACT_SITE: For protease activity; shared with dimeric partner => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP25
BASP125

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Cleavage; by viral protease => ECO:0000250
ChainResidueDetails
APHE99
BPHE199

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
ATHR26

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
BTHR126
BASP125

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
BASP125

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PDB entries from 2024-07-24

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