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3KFN

HIV Protease (PR) with inhibitor TL-3 and fragment hit 4D9 by soaking

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 Residues34
DetailsBINDING SITE FOR RESIDUE 3TL A 200
ChainResidue
ATRP6
AILE47
AGLY48
AGLY49
AILE50
APHE53
APRO81
AVAL82
AILE84
ADMS303
AHOH358
AARG8
AHOH364
BARG8
BLEU23
BASP25
BGLY27
BALA28
BASP29
BGLY48
BGLY49
BILE50
AASP25
BPHE53
BPRO81
BVAL82
BILE84
BHOH203
AGLY27
AALA28
AASP29
AASP30
ALYS45
AMET46

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 4DX A 201
ChainResidue
ALYS14
AILE15
AGLY16
AGLY17
ALEU63
AILE64
AGLU65
AHOH301

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE DMS A 303
ChainResidue
ATRP6
AGLY49
AILE50
AGLY51
AGLY52
A3TL200
BILE54
BPRO79
BPRO81

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS A 304
ChainResidue
AGLY73
ATHR74
AASN88
BARG41

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 305
ChainResidue
AARG87
AASN88
ATHR91
BLEU5
BTRP6
BARG41

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE K A 307
ChainResidue
AGLY94
ATHR96
AHOH355
BASN98

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE BME B 300
ChainResidue
AGLN18
AASN37
BTHR12
BGLU65
BCYS67
BGLY68

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE DMS B 302
ChainResidue
BLYS14
BGLY16
BGLY17
BLEU63
BILE64
BGLU65
BLYS70

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K B 306
ChainResidue
AASN98
BGLY94
BTHR96
BHOH354
BHOH399

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

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PDB entries from 2024-09-04

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