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5HD0

BACE-1 in complex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoropyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
B0004190molecular_functionaspartic-type endopeptidase activity
B0006508biological_processproteolysis
B0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues9
Detailsbinding site for residue TLA A 501
ChainResidue
AARG68
AASN89
AHIS110
AARG111
AASN175
AHOH601
AHOH736
AHOH789
AHOH840

site_idAC2
Number of Residues19
Detailsbinding site for residue 60Y A 502
ChainResidue
ASER71
AGLN73
AGLY74
ALEU91
AASP93
ASER96
AVAL130
ATYR132
APHE169
AILE171
AILE187
AARG189
AASP289
AGLY291
ATHR292
ATHR293
AHOH756
AHOH770
AHOH788

site_idAC3
Number of Residues9
Detailsbinding site for residue TLA B 501
ChainResidue
BARG68
BASN89
BHIS110
BARG111
BASN175
BHOH608
BHOH638
BHOH773
BHOH829

site_idAC4
Number of Residues22
Detailsbinding site for residue 60Y B 502
ChainResidue
BSER71
BGLN73
BGLY74
BLEU91
BASP93
BSER96
BVAL130
BTYR132
BPHE169
BILE171
BTRP176
BILE187
BARG189
BASP289
BSER290
BGLY291
BTHR292
BTHR293
BHOH661
BHOH751
BHOH790
BHOH893

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ILVDTGSSNFAV
ChainResidueDetails
AILE90-VAL101

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP93
AASP289
BASP93
BASP289

site_idSWS_FT_FI2
Number of Residues14
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241
ChainResidueDetails
ALYS126
BLYS279
BLYS285
BLYS299
BLYS300
BLYS307
ALYS275
ALYS279
ALYS285
ALYS299
ALYS300
ALYS307
BLYS126
BLYS275

site_idSWS_FT_FI3
Number of Residues8
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN153
AASN172
AASN223
AASN354
BASN153
BASN172
BASN223
BASN354

223790

PDB entries from 2024-08-14

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