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4GMI

BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues17
DetailsBINDING SITE FOR RESIDUE 0XA A 401
ChainResidue
AGLN12
ATYR198
AILE226
AASP228
AGLY230
ATHR232
AACT402
AHOH611
AHOH620
ALEU30
AASP32
AGLY34
ASER35
APRO70
ATYR71
ATHR72
AGLN73

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 402
ChainResidue
ATHR72
ATYR198
ALYS224
A0XA401
AHOH545
AHOH580

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 403
ChainResidue
ASER187
ALEU188
ATRP189
AHOH822

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
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP32
AASP228

site_idSWS_FT_FI2
Number of Residues7
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241
ChainResidueDetails
ALYS65
ALYS214
ALYS218
ALYS224
ALYS238
ALYS239
ALYS246

site_idSWS_FT_FI3
Number of Residues4
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN92
AASN111
AASN162
AASN293

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PDB entries from 2024-07-10

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