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2FGU

X-ray crystal structure of HIV-1 Protease T80S variant in complex with the inhibitor saquinavir used to explore the role of invariant Thr80 in HIV-1 protease structure, function, and viral infectivity.

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 PO4 A 501
ChainResidue
AARG14
AGLY17
APRO63
AHOH522
AHOH529
BHOH544

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 A 502
ChainResidue
AGLN92
AHOH565
AGLY73
ATHR74
AASN88

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PO4 A 503
ChainResidue
APRO1
ALYS55
BHIS69
BLYS70
BPHE99
BHOH563
BHOH577

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 B 504
ChainResidue
APRO39
AGLY40
BMET36
BASN37
BHOH549

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 B 505
ChainResidue
BLYS20
BGLU21
BASN83
BHOH528
BHOH542

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE QNC A 504
ChainResidue
ATRP6
AGLY27
AALA28
AASP29
AGLY48
AASN505
AHPH506
AHOH524
BARG8
BPRO81

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE ASN A 505
ChainResidue
AALA28
AASP29
AASP30
AGLY48
AQNC504
AHPH506
AHOH510
AHOH530
BILE50

site_idAC8
Number of Residues10
DetailsBINDING SITE FOR RESIDUE HPH A 506
ChainResidue
AASP25
AGLY27
AGLY49
AILE50
AQNC504
AASN505
ADIQ507
BASP25
BPRO81
BILE84

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE DIQ A 507
ChainResidue
AASP25
APRO81
AILE84
AHPH506
ANTB508
AHOH510
BASP25
BGLY27

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NTB A 508
ChainResidue
ADIQ507
AHOH518
BALA28
BGLY48

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 Residues4
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
ATHR26
BASP25
BTHR26

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a30
ChainResidueDetails
AASP25
BASP25

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PDB entries from 2024-10-16

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