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3EM6

Crystal structure of I50L/A71V mutant of hiv-1 protease in complex with inhibitor darunavir

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 Residues16
DetailsBINDING SITE FOR RESIDUE 017 A 200
ChainResidue
AASP25
BASP25
BGLY27
BALA28
BASP30
BGLY48
BGLY49
BPRO81
AGLY27
AALA28
AASP29
AASP30
AGLY48
AGLY49
ALEU50
AHOH613

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PO4 A 502
ChainResidue
ALYS7
AARG8
AHOH700

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 504
ChainResidue
AMET36
AASN37
AHOH620
AHOH624
BPRO39
BGLY40

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 A 505
ChainResidue
ALYS20
AGLU21
AASN83
AHOH642
AHOH694

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 606
ChainResidue
AARG14
AGLY16
AGLY17
BGLY16

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 B 503
ChainResidue
AHIS69
ALYS70
BPRO1
BHOH335

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 B 506
ChainResidue
AARG87
BTRP6
BLYS7
BARG8

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 603
ChainResidue
BGLY73
BTHR74
BASN88
BGLN92

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 605
ChainResidue
BLYS20
BGLU21
BASN83
BHOH637

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

219869

PDB entries from 2024-05-15

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