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3IXJ

Crystal structure of beta-secretase 1 in complex with selective 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 Residues28
DetailsBINDING SITE FOR RESIDUE 586 A 500
ChainResidue
AGLY59
ATHR120
AGLN121
AGLY122
APHE156
AILE158
AILE174
ATYR246
AILE274
AASP276
ASER277
AGLN60
AGLY278
ATHR279
ATHR280
AASN281
AARG283
ASER373
AALA383
AHOH709
AHOH736
AGLY61
AASP80
AGLY82
ASER83
AVAL117
APRO118
ATYR119

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 700
ChainResidue
AARG283
ASER375
ASER376
AHOH732

site_idAC3
Number of Residues28
DetailsBINDING SITE FOR RESIDUE 586 B 500
ChainResidue
BGLY59
BGLN60
BGLY61
BASP80
BGLY82
BSER83
BVAL117
BPRO118
BTYR119
BTHR120
BGLN121
BGLY122
BPHE156
BILE158
BILE174
BTYR246
BILE274
BASP276
BSER277
BGLY278
BTHR279
BTHR280
BASN281
BARG283
BSER373
BALA383
BHOH738
BHOH785

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 700
ChainResidue
BARG283
BSER375
BSER376

site_idAC5
Number of Residues27
DetailsBINDING SITE FOR RESIDUE 586 C 500
ChainResidue
CGLY59
CGLN60
CGLY61
CLEU78
CASP80
CGLY82
CVAL117
CPRO118
CTYR119
CTHR120
CGLN121
CGLY122
CPHE156
CILE158
CTYR246
CASP276
CSER277
CGLY278
CTHR279
CTHR280
CASN281
CARG283
CSER373
CALA383
CHOH729
CHOH731
CHOH769

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 C 700
ChainResidue
CARG283
CGLN374
CSER376

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
ALYS262
ALYS266
ALYS272
ALYS286
ALYS287
ALYS294
BLYS113
BLYS262
BLYS266
BLYS272
BLYS286
BLYS287
BLYS294
CLYS113
CLYS262
CLYS266
CLYS272
CLYS286
CLYS287
CLYS294

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

221051

PDB entries from 2024-06-12

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