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2FGV

X-ray crystal structure of HIV-1 Protease T80N 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 Residues10
DetailsBINDING SITE FOR RESIDUE PO4 A 501
ChainResidue
AARG14
BHOH521
AGLY16
AGLY17
APRO63
AHOH523
AHOH530
AHOH593
AHOH594
BARG14

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PO4 A 502
ChainResidue
AGLY73
ATHR74
AASN88
AGLN92
AHOH513
AHOH515
AHOH537
AHOH560

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE PO4 A 503
ChainResidue
APRO1
ALYS55
BHIS69
BLYS70
BPHE99
BHOH550
BHOH574
BHOH589

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 B 504
ChainResidue
AARG14
ALYS70
BLYS55
BLYS70

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PO4 B 505
ChainResidue
AQNC508
BARG8
BHOH587

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 B 506
ChainResidue
AHOH568
BPRO1
BARG57
BHIS69
BHOH555

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 A 507
ChainResidue
ALYS7
AARG8
AHOH572
AHOH589
BARG87

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE QNC A 508
ChainResidue
AGLY27
AASP29
AGLY48
AASN509
AHPH510
AHOH531
BARG8
BPRO81
BPO4505

site_idAC9
Number of Residues10
DetailsBINDING SITE FOR RESIDUE ASN A 509
ChainResidue
AALA28
AASP29
AASP30
AGLY48
AGLY49
AQNC508
AHPH510
AHOH526
AHOH534
BILE50

site_idBC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE HPH A 510
ChainResidue
AASP25
AGLY27
AGLY49
AILE50
AQNC508
AASN509
ADIQ511
BASP25
BVAL82
BILE84

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DIQ A 511
ChainResidue
AASP25
AHPH510
ANTB512
AHOH526
BASP25
BGLY49

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NTB A 512
ChainResidue
AILE50
ADIQ511
BGLY48
BHOH508

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

221716

PDB entries from 2024-06-26

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