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5MCQ

CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE AND EXOSITE BINDING PEPTIDE INHIBITOR

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue EDO A 501
ChainResidue
AARG111
ATYR112
AGLN114
AHOH851

site_idAC2
Number of Residues5
Detailsbinding site for residue EDO A 502
ChainResidue
ASER59
APHE60
AGLU165
AHOH975
AHOH1005

site_idAC3
Number of Residues5
Detailsbinding site for residue EDO A 503
ChainResidue
AARG157
AASN159
AGLU195
ASER200
AHOH729

site_idAC4
Number of Residues2
Detailsbinding site for residue EDO A 504
ChainResidue
AGLU226
AHOH844

site_idAC5
Number of Residues14
Detailsbinding site for Ligand residues STA D 671 through VAL D 672 bound to ASN D 670
ChainResidue
AASP93
AGLY95
ASER96
APRO131
ATYR132
ATHR133
AGLN134
AILE187
ATYR259
AASP289
AGLY291
DASN670
DALA673
DGLU674

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 Residues341
DetailsDomain: {"description":"Peptidase A1","evidences":[{"source":"PROSITE-ProRule","id":"PRU01103","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsActive site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues7
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 Residues4
DetailsGlycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

246031

PDB entries from 2025-12-10

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