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4K4Q

TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site

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 Residues10
DetailsBINDING SITE FOR RESIDUE NO3 A 101
ChainResidue
AGLU35
AHOH232
ATRP42
ALYS55
AVAL56
AARG57
AARG57
AVAL77
AGLY78
APRO79

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NO3 A 102
ChainResidue
APRO39
AGLY40
AARG41
APHE53
AILE54
ALYS55

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE BME A 103
ChainResidue
AVAL11
ATHR12
ACYS67
BGLN61

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DMS A 104
ChainResidue
APRO39
AARG41
APHE53
AILE62
ALEU63
AHOH219

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NO3 A 105
ChainResidue
AASP30
ALYS45
ATHR74
ALEU76
AHOH212

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NO3 A 106
ChainResidue
ALYS14
AGLY17
BGLY16
BGLY17
BPRO81

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NO3 A 107
ChainResidue
ATHR12
AILE13
AGLU65
ACYS67
AGLY68

site_idAC8
Number of Residues28
DetailsBINDING SITE FOR RESIDUE 3TL A 108
ChainResidue
AARG8
AASP25
AGLY27
AALA28
AASP29
AASP30
AMET46
AILE47
AGLY48
AGLY49
AILE50
APRO81
AVAL82
AILE84
AHOH208
BARG8
BASP25
BGLY27
BALA28
BASP29
BASP30
BGLY48
BGLY49
BGLY52
BPRO81
BILE84
B06B103
B06B104

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NO3 B 101
ChainResidue
BLYS20
BLYS20
BGLU21
BGLU21
BASN83
BASN83

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE 06B B 102
ChainResidue
BPRO44
BLYS45
BLYS55
BVAL56

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE 06B B 103
ChainResidue
A3TL108
BARG8
BLYS14
BLEU19
BPRO81
B06B104

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE 06B B 104
ChainResidue
APHE53
A3TL108
BARG8
BLYS14
B06B103

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DMS B 105
ChainResidue
BLEU10
BLEU10
BTHR12
BGLU21

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
DetailsLIPID: N-myristoyl glycine; by host => ECO:0000250
ChainResidueDetails
AGLN2
BGLN2

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PDB entries from 2024-07-10

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