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3IXK

Potent beta-secretase 1 inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
B0004190molecular_functionaspartic-type endopeptidase activity
B0006508biological_processproteolysis
B0016020cellular_componentmembrane
C0004190molecular_functionaspartic-type endopeptidase activity
C0006508biological_processproteolysis
C0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues26
DetailsBINDING SITE FOR RESIDUE 929 A 500
ChainResidue
AGLY59
ATHR120
AGLN121
AGLY122
ALYS155
APHE156
AILE158
AILE174
ATYR246
AASP276
ASER277
AGLN60
AGLY278
ATHR279
ATHR280
AASN281
AARG283
ASER373
AHOH501
AGLY61
AASP80
AGLY82
ASER83
AVAL117
APRO118
ATYR119

site_idAC2
Number of Residues25
DetailsBINDING SITE FOR RESIDUE 929 B 500
ChainResidue
BGLY59
BGLN60
BGLY61
BASP80
BGLY82
BVAL117
BPRO118
BTYR119
BTHR120
BGLN121
BGLY122
BLYS155
BPHE156
BILE158
BTRP163
BILE174
BTYR246
BASP276
BSER277
BGLY278
BTHR279
BTHR280
BASN281
BARG283
BSER373

site_idAC3
Number of Residues23
DetailsBINDING SITE FOR RESIDUE 929 C 500
ChainResidue
CGLY59
CGLN60
CGLY61
CASP80
CGLY82
CVAL117
CPRO118
CTYR119
CTHR120
CGLN121
CGLY122
CLYS155
CPHE156
CILE158
CTYR246
CASP276
CSER277
CGLY278
CTHR279
CTHR280
CASN281
CARG283
CSER373

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ILVDTGSSNFAV
ChainResidueDetails
AILE77-VAL88

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP80
AASP276
BASP80
BASP276
CASP80
CASP276

site_idSWS_FT_FI2
Number of Residues21
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241
ChainResidueDetails
ALYS113
BLYS266
BLYS272
BLYS286
BLYS287
BLYS294
CLYS113
CLYS262
CLYS266
CLYS272
CLYS286
ALYS262
CLYS287
CLYS294
ALYS266
ALYS272
ALYS286
ALYS287
ALYS294
BLYS113
BLYS262

site_idSWS_FT_FI3
Number of Residues12
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN140
CASN159
CASN210
CASN341
AASN159
AASN210
AASN341
BASN140
BASN159
BASN210
BASN341
CASN140

229183

PDB entries from 2024-12-18

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