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3KDC

Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10074

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 Residues32
DetailsBINDING SITE FOR RESIDUE JZP A 100
ChainResidue
ALEU23
AGLY49
AILE50
APRO81
AVAL82
AILE84
AHOH197
AHOH215
BLEU23
BASP25
BGLY27
AASP25
BALA28
BASP29
BASP30
BVAL32
BILE47
BGLY48
BGLY49
BILE50
BPRO81
BVAL82
AGLY27
BILE84
BHOH119
BHOH194
AALA28
AASP29
AASP30
AVAL32
AILE47
AGLY48

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 101
ChainResidue
AGLN18
AMET36
ASER37
BTHR12
BGLU65
BGLY68

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 102
ChainResidue
ATHR74
AASN88
BARG41

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 103
ChainResidue
AILE50
AGLY51
BILE54
BPRO79

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 100
ChainResidue
BGLY73
BTHR74
BASN88
BHOH180

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 101
ChainResidue
BTRP6
BHOH105

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

239149

PDB entries from 2025-07-23

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