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3TKW

Crystal structure of HIV protease model precursor/Darunavir complex

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 Residues4
DetailsBINDING SITE FOR RESIDUE CL A 601
ChainResidue
ATHR74
AASN88
AHOH1082
BARG41

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 611
ChainResidue
AHOH1080
AASP60
AHOH1027
AHOH1054
AHOH1062
AHOH1078

site_idAC3
Number of Residues27
DetailsBINDING SITE FOR RESIDUE 017 B 401
ChainResidue
AARG8
ALEU23
AASP25
AGLY27
AALA28
AASP29
AASP30
AVAL32
AGLY48
AGLY49
AILE50
APRO81
AVAL82
AILE84
BASP25
BGLY27
BALA28
BASP29
BASP30
BGLY48
BGLY49
BILE50
BPRO81
BVAL82
BILE84
BHOH1051
BHOH1125

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 501
ChainResidue
AGLN18
AMET36
ASER37
BLYS14
BGLU65
BALA67
BGLY68
BHOH1036

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 502
ChainResidue
ALYS45
AMET46
BGLN61
BILE72
BGLN92
BHOH1008
BHOH1072

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 602
ChainResidue
BVAL11
BTHR12

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 603
ChainResidue
BTHR74
BASN88
BHOH1006

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 Residues138
DetailsDomain: {"description":"Peptidase A2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00275","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues20
DetailsRegion: {"description":"Dimerization of protease","evidences":[{"source":"UniProtKB","id":"P04585","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsActive site: {"description":"For protease activity; shared with dimeric partner","evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues1
DetailsSite: {"description":"Cleavage; by viral protease","evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

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PDB entries from 2025-07-16

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