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4AZY

Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT A 1503
ChainResidue
ALEU188
AHOH2226

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 1504
ChainResidue
AASP216
ALYS218
AGLU380
AHOH2337
AHOH2339

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 1505
ChainResidue
ASER105
AGLU77
AGLU104

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 1506
ChainResidue
AGLU339
AHOH2023
AHOH2353
AHOH2381

site_idAC5
Number of Residues23
DetailsBINDING SITE FOR RESIDUE 7F3 A 1507
ChainResidue
AGLY11
AGLN12
AGLY13
ALEU30
AASP32
ASER35
AASN37
AALA39
ATYR71
AGLN73
ATRP76
APHE108
AILE110
ATRP115
AILE118
AASP228
AGLY230
ATHR231
ATHR232
AHOH2026
AHOH2160
AHOH2269
AHOH2271

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

site_idSWS_FT_FI2
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_FI3
Number of Residues3
DetailsGlycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

246704

PDB entries from 2025-12-24

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