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3EKQ

Crystal structure of inhibitor saquinavir (SQV) in complex with multi-drug resistant HIV-1 protease (L63P/V82T/I84V) (referred to as ACT in paper)

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 Residues19
DetailsBINDING SITE FOR RESIDUE ROC A 100
ChainResidue
AASP25
AHOH507
AHOH509
AHOH549
BARG8
BLEU23
BASP25
BGLY27
BVAL48
BILE50
BPRO81
AGLY27
AALA28
AASP29
AASP30
AVAL48
AGLY49
AILE50
ATHR80

site_idAC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PO4 A 502
ChainResidue
ALYS7
AARG8

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 B 501
ChainResidue
BLYS20
BGLU21
BASN83
BHOH511

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ALLDTGADDTVL
ChainResidueDetails
AALA22-LEU33

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
BASP25

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Cleavage; by viral protease => ECO:0000250
ChainResidueDetails
APHE99
BPHE99

218853

PDB entries from 2024-04-24

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