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2IEO

Crystal structure analysis of HIV-1 protease mutant I84V with a potent non-peptide inhibitor (UIC-94017)

Replaces:  1S6S
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 Residues4
DetailsBINDING SITE FOR RESIDUE CL A 501
ChainResidue
ATHR74
AASN88
AHOH1164
BARG141

site_idAC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CL B 502
ChainResidue
BTRP106

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 503
ChainResidue
BTHR174
BASN188
BHOH1013

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 505
ChainResidue
AHOH1015
AHOH1040
AHOH1089
AHOH1112
AHOH1210
AASP60

site_idAC5
Number of Residues28
DetailsBINDING SITE FOR RESIDUE 017 A 402
ChainResidue
ALEU23
AASP25
AGLY27
AALA28
AASP29
AASP30
AVAL32
AGLY48
AGLY49
AILE50
APRO81
AVAL82
AHOH1165
AHOH1336
AHOH1337
BARG108
BLEU123
BASP125
BGLY127
BALA128
BASP129
BASP130
BVAL132
BGLY148
BGLY149
BILE150
BPRO181
BVAL182

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

246704

PDB entries from 2025-12-24

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