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4H3I

Structure of BACE Bound to 3-(5-((7aR)-2-imino-6-(3-methoxypyridin-2-yl)-3-methyl-4-oxooctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-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
AHOH720
AHOH778
AHOH791
AHOH940

site_idAC2
Number of Residues18
DetailsBINDING SITE FOR RESIDUE 10V A 502
ChainResidue
ASER71
AGLN73
ALEU91
AASP93
ASER96
AASN98
AVAL130
APHE169
ATRP176
AARG189
ATYR259
AASP289
AGLY291
ATHR292
ATHR293
AHOH1001
AHOH1014
AHOH1029

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE TLA B 501
ChainResidue
ALYS300
BHIS106
BPHE108
BSER166
BASP167
BLYS168
BPHE169
BPHE170

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE TLA B 502
ChainResidue
BARG68
BASN89
BHIS110
BARG111
BASN175
BHOH705
BHOH765
BHOH853

site_idAC5
Number of Residues17
DetailsBINDING SITE FOR RESIDUE 10V B 503
ChainResidue
BSER71
BGLN73
BLEU91
BASP93
BSER96
BASN98
BVAL130
BTYR132
BTRP176
BARG189
BTYR259
BASP289
BGLY291
BTHR292
BTHR293
BHOH973
BHOH976

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 Residues4
DetailsActive site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10094","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
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_FI3
Number of Residues8
DetailsGlycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues341
DetailsDomain: {"description":"Peptidase A1","evidences":[{"source":"PROSITE-ProRule","id":"PRU01103","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

250059

PDB entries from 2026-03-04

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