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4YBI

Crystal structure of BACE with amino thiazine inhibitor LY2811376

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 Residues14
Detailsbinding site for residue 4B2 A 401
ChainResidue
AGLY11
AGLY230
AHOH656
AHOH775
AHOH811
AHOH849
AGLN12
AGLY13
AASP32
ATYR71
APHE108
AILE110
ATRP115
AASP228

site_idAC2
Number of Residues8
Detailsbinding site for residue GOL A 402
ChainResidue
AASP318
AHOH642
AHOH739
AHOH748
BSER58
BTHR59
BARG61
BARG96

site_idAC3
Number of Residues5
Detailsbinding site for residue GOL A 403
ChainResidue
AARG96
AASN98
AGLU134
ASER139
AHOH534

site_idAC4
Number of Residues16
Detailsbinding site for residue 4B2 B 401
ChainResidue
BGLY11
BGLN12
BGLY13
BLEU30
BASP32
BTYR71
BPHE108
BILE110
BTRP115
BILE118
BASP228
BGLY230
BTHR232
BHOH616
BHOH726
BHOH759

site_idAC5
Number of Residues8
Detailsbinding site for residue GOL B 402
ChainResidue
ASER58
ATHR59
AARG61
AARG96
BASP318
BHOH508
BHOH531
BHOH735

site_idAC6
Number of Residues7
Detailsbinding site for residue GOL B 403
ChainResidue
BARG96
BASN98
BGLU134
BGLN143
BHOH621
BHOH635
BHOH823

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ILVDTGSSNFAV
ChainResidueDetails
AILE29-VAL40

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP32
AASP228
BASP32
BASP228

site_idSWS_FT_FI2
Number of Residues14
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241
ChainResidueDetails
ALYS65
BLYS218
BLYS224
BLYS238
BLYS239
BLYS246
ALYS214
ALYS218
ALYS224
ALYS238
ALYS239
ALYS246
BLYS65
BLYS214

site_idSWS_FT_FI3
Number of Residues8
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN92
AASN111
AASN162
AASN293
BASN92
BASN111
BASN162
BASN293

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PDB entries from 2024-11-20

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