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4TRY

Structure of BACE1 complex with a HEA-type inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
B0004190molecular_functionaspartic-type endopeptidase activity
B0006508biological_processproteolysis
B0016020cellular_componentmembrane
C0004190molecular_functionaspartic-type endopeptidase activity
C0006508biological_processproteolysis
C0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues16
Detailsbinding site for "syn-HEA type inhibitor
ChainResidue
BGLY72
BASP289
BGLY291
BTHR292
BTHR293
BASN294
BARG296
EHOH101
BGLN73
BASP93
BTYR132
BTHR133
BGLN134
BPHE169
BILE171
BTYR259

site_idAC2
Number of Residues16
Detailsbinding site for "syn-HEA type inhibitor
ChainResidue
BGLY72
BGLN73
BASP93
BTYR132
BTHR133
BGLN134
BPHE169
BILE171
BTYR259
BASP289
BGLY291
BTHR292
BTHR293
BASN294
BARG296
EHOH101

site_idAC3
Number of Residues16
Detailsbinding site for "syn-HEA type inhibitor
ChainResidue
BGLY72
BGLN73
BASP93
BTYR132
BTHR133
BGLN134
BPHE169
BILE171
BTYR259
BASP289
BGLY291
BTHR292
BTHR293
BASN294
BARG296
EHOH101

site_idAC4
Number of Residues16
Detailsbinding site for "syn-HEA type inhibitor
ChainResidue
BGLY72
BGLN73
BASP93
BTYR132
BTHR133
BGLN134
BPHE169
BILE171
BTYR259
BASP289
BGLY291
BTHR292
BTHR293
BASN294
BARG296
EHOH101

site_idAC5
Number of Residues16
Detailsbinding site for "syn-HEA type inhibitor
ChainResidue
BGLY72
BGLN73
BASP93
BTYR132
BTHR133
BGLN134
BPHE169
BILE171
BTYR259
BASP289
BGLY291
BTHR292
BTHR293
BASN294
BARG296
EHOH101

site_idAC6
Number of Residues16
Detailsbinding site for "syn-HEA type inhibitor
ChainResidue
BGLY72
BGLN73
BASP93
BTYR132
BTHR133
BGLN134
BPHE169
BILE171
BTYR259
BASP289
BGLY291
BTHR292
BTHR293
BASN294
BARG296
EHOH101

site_idAC7
Number of Residues16
Details
ChainResidue
CTYR132
CTHR133
CGLN134
CPHE169
CILE171
CTYR259
CASP289
CGLY291
CTHR292
CTHR293
CASN294
CARG296
FHOH101
CSER71
CGLY72
CASP93

site_idAC8
Number of Residues15
Details
ChainResidue
AGLY72
AGLN73
AGLY74
AASP93
ATYR132
ATHR133
AGLN134
APHE169
ATYR259
AILE287
AASP289
AGLY291
ATHR292
ATHR293
AASN294

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 Residues1023
DetailsDomain: {"description":"Peptidase A1","evidences":[{"source":"PROSITE-ProRule","id":"PRU01103","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues6
DetailsActive site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues21
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 Residues12
DetailsGlycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

238582

PDB entries from 2025-07-09

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