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6DJ2

HIV-1 protease with single mutation L76V in complex with Lopinavir

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 Residues5
Detailsbinding site for residue NA A 501
ChainResidue
AASP60
AHOH615
AHOH625
AHOH644
AHOH697

site_idAC2
Number of Residues4
Detailsbinding site for residue CL A 502
ChainResidue
ATHR74
AASN88
AHOH709
AHOH715

site_idAC3
Number of Residues22
Detailsbinding site for residue AB1 B 201
ChainResidue
AASP25
AGLY27
AALA28
AASP29
AILE47
AGLY48
AGLY49
AVAL82
AHOH652
BARG8
BASP25
BGLY27
BALA28
BASP29
BASP30
BVAL32
BGLY48
BGLY49
BILE50
BPRO81
BVAL82
BHOH313

site_idAC4
Number of Residues1
Detailsbinding site for residue CL B 202
ChainResidue
BTRP6

site_idAC5
Number of Residues5
Detailsbinding site for residue CL B 203
ChainResidue
BTHR74
BASN88
BHOH374
BHOH416
BHOH424

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 Residues2
DetailsACT_SITE: For protease activity; shared with dimeric partner => ECO:0000255|PROSITE-ProRule:PRU10094, ECO:0000305|PubMed:33542150
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_idMCSA1
Number of Residues3
DetailsM-CSA 175
ChainResidueDetails
AASP25hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
ATHR26electrostatic stabiliser, transition state stabiliser
AGLY27electrostatic stabiliser, hydrogen bond donor

site_idMCSA2
Number of Residues3
DetailsM-CSA 175
ChainResidueDetails
BASP25hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
BTHR26electrostatic stabiliser, transition state stabiliser
BGLY27electrostatic stabiliser, hydrogen bond donor

220113

PDB entries from 2024-05-22

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