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2QCI

HIV-1 Protease mutant D30N 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
AHOH515
AHOH524
AHOH530
AHOH533
AHOH547

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 502
ChainResidue
ATHR74
AASN88
BARG141

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 802
ChainResidue
BPRO139
BGLY140
BARG141
BTYR159
BASP160
BHOH876

site_idAC4
Number of Residues26
DetailsBINDING SITE FOR RESIDUE 065 B 404
ChainResidue
AASP25
AGLY27
AALA28
AASP29
AASN30
AGLY48
AGLY49
AILE50
APRO81
AILE84
BASP125
BGLY127
BALA128
BASP129
BASN130
BILE147
BGLY148
BGLY149
BILE150
BPRO181
BILE184
BHOH814
BHOH815
BHOH878
BHOH885
BHOH886

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADNTVI
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

226707

PDB entries from 2024-10-30

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