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4X7I

Crystal Structure of BACE with amino thiazine inhibitor LY2886721

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 Residues17
Detailsbinding site for residue 3YS A 401
ChainResidue
ASER10
AILE118
AASP228
ASER229
AGLY230
ATHR231
ATHR232
AALA335
AHOH726
AGLN12
AGLY13
ALEU30
AASP32
ASER35
ATYR71
APHE108
AILE110

site_idAC2
Number of Residues8
Detailsbinding site for residue GOL A 402
ChainResidue
AASP318
AHOH671
AHOH699
AHOH708
BSER58
BTHR59
BARG61
BARG96

site_idAC3
Number of Residues19
Detailsbinding site for residue 3YS B 401
ChainResidue
BSER10
BGLN12
BGLY13
BLEU30
BASP32
BGLY34
BSER35
BTYR71
BPHE108
BILE110
BILE118
BASP228
BSER229
BGLY230
BTHR231
BTHR232
BALA335
BHOH878
BHOH890

site_idAC4
Number of Residues9
Detailsbinding site for residue GOL B 402
ChainResidue
ASER58
ATHR59
AARG61
AARG96
BASP318
BHOH511
BHOH514
BHOH558
BHOH645

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 Residues682
DetailsDomain: {"description":"Peptidase A1","evidences":[{"source":"PROSITE-ProRule","id":"PRU01103","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues4
DetailsActive site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues14
DetailsModified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"17425515","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19011241","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues8
DetailsGlycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

239803

PDB entries from 2025-08-06

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