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3I8W

Crystal structure of a metallacarborane inhibitor bound to HIV protease

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CB5 A 100
ChainResidue
AILE47
AGLY48
AGLY49
AILE50
AILE54
APRO81
AVAL82
AILE84

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 101
ChainResidue
AHOH209
AHOH210
AHOH211
APRO1

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 102
ChainResidue
ATHR12
ALYS14
ALEU19
AGLU65
ACYS67
AGLY68

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 Residues1
DetailsACT_SITE: For protease activity; shared with dimeric partner => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP25

site_idSWS_FT_FI2
Number of Residues1
DetailsSITE: Cleavage; by viral protease => ECO:0000250
ChainResidueDetails
APHE99

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

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25

225946

PDB entries from 2024-10-09

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