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3EL9

Crystal structure of atazanavir (ATV) in complex with a multidrug HIV-1 protease (V82T/I84V)

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 Residues20
DetailsBINDING SITE FOR RESIDUE DR7 A 100
ChainResidue
AARG8
AHOH584
BARG8
BASP25
BGLY27
BALA28
BASP29
BGLY48
BGLY49
BILE50
BPRO81
AASP25
BPO4507
AGLY27
AALA28
AASP29
AGLY48
AGLY49
APRO81
AHOH520

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 501
ChainResidue
APRO39
AGLY40
BGLN18
BMET36
BASN37

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 A 502
ChainResidue
AGLY16
AGLY17
AHOH538
AHOH582
BHOH521

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 504
ChainResidue
AGLY73
ATHR74
AASN88
AGLN92
AHOH515
AHOH557

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 A 508
ChainResidue
ALYS7
AARG8
AHOH510
BARG87
BHOH528

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 B 503
ChainResidue
AHOH522
BPRO1
BARG57
BHIS69
BHOH532

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 B 506
ChainResidue
APRO1
BHIS69
BLYS70
BHOH530

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PO4 B 507
ChainResidue
ADR7100
BARG8

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

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
BASP25
BTHR26

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
BASP25

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PDB entries from 2024-07-24

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