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4TRW

Structure of BACE1 complex with a syn-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 Residues14
DetailsBINDING SITE FOR CHAIN D OF L-ALPHA-GLUTAMYL-L-ISOLEUCYL-N-[(2R,3S)-1-{[(1S)-1- CARBOXYBUTYL]AMINO}-2-HYDROXY-5-METHYLHEXAN-3-YL]-3-THIOPHEN-2-YL-L- ALANINAMIDE
ChainResidue
AGLY72
AASP289
AGLY291
ATHR292
ATHR293
AASN294
AGLY74
AASP93
AGLY95
ATYR132
ATHR133
AGLN134
AILE171
ATYR259

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR CHAIN E OF L-ALPHA-GLUTAMYL-L-ISOLEUCYL-N-[(2R,3S)-1-{[(1S)-1- CARBOXYBUTYL]AMINO}-2-HYDROXY-5-METHYLHEXAN-3-YL]-3-THIOPHEN-2-YL-L- ALANINAMIDE
ChainResidue
BGLY72
BASP93
BGLY95
BPRO131
BTYR132
BTHR133
BGLN134
BPHE169
BTYR259
BASP289
BGLY291
BTHR292
BTHR293
BASN294

site_idAC3
Number of Residues18
DetailsBINDING SITE FOR CHAIN F OF L-ALPHA-GLUTAMYL-L-ISOLEUCYL-N-[(2R,3S)-1-{[(1S)-1- CARBOXYBUTYL]AMINO}-2-HYDROXY-5-METHYLHEXAN-3-YL]-3-THIOPHEN-2-YL-L- ALANINAMIDE
ChainResidue
CGLY72
CLEU91
CASP93
CGLY95
CSER96
CPRO131
CTYR132
CTHR133
CGLN134
CTYR259
CASP289
CGLY291
CTHR292
CTHR293
CASN294
CARG296
CARG368
CLYS382

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

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PDB entries from 2025-12-24

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