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4HA5

Structure of BACE Bound to (S)-3-(5-(2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl)thiophen-3-yl)benzonitrile

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 Residues9
DetailsBINDING SITE FOR RESIDUE TLA A 501
ChainResidue
AARG68
AASN89
AHIS110
AARG111
AASN175
AHOH721
AHOH779
AHOH793
AHOH955

site_idAC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 13W A 502
ChainResidue
ASER71
AGLN73
AASP93
ASER96
ATYR132
APHE169
ATRP176
AASP289
AGLY291
ATHR292
ATHR293
AHOH1041
AHOH1044

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE TLA B 501
ChainResidue
ALYS300
BHIS106
BPHE108
BSER166
BASP167
BLYS168
BPHE169
BPHE170
BHOH832

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE TLA B 502
ChainResidue
BARG68
BASN89
BHIS110
BARG111
BASN175
BHOH704
BHOH767
BHOH852
BHOH857

site_idAC5
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 13W B 503
ChainResidue
BGLN73
BGLY74
BASP93
BPHE169
BTRP176
BILE179
BASP289
BGLY291
BTHR292
BHOH995

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 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

246333

PDB entries from 2025-12-17

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