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6C2I

Structure of Bace-1 (Beta-Secretase) in complex with : N-(3-((1R,5S,6R)-3-amino-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamide

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues3
Detailsbinding site for residue IOD A 401
ChainResidue
AGLU103
ASER104
AHOH787

site_idAC2
Number of Residues1
Detailsbinding site for residue IOD A 402
ChainResidue
ALYS106

site_idAC3
Number of Residues9
Detailsbinding site for residue GOL A 404
ChainResidue
AHOH525
AHOH561
AHOH571
AHOH726
AARG49
ATYR50
AGLN52
ASER186
AHOH514

site_idAC4
Number of Residues7
Detailsbinding site for residue GOL A 405
ChainResidue
AGLY65
ATYR67
ACYS268
ATHR313
AHOH501
AHOH555
AHOH638

site_idAC5
Number of Residues6
Detailsbinding site for residue SO4 A 406
ChainResidue
AARG53
AGLN54
AASP345
AARG348
AARG350
AHOH570

site_idAC6
Number of Residues14
Detailsbinding site for residue EJ7 A 407
ChainResidue
AGLY10
AGLN11
AGLY12
ALEU29
AASP31
ATYR70
APHE107
AILE117
AASP227
ASER228
AGLY229
ATHR231
AALA334
AHOH628

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. ILVDTGSSNFAV
ChainResidueDetails
AILE28-VAL39

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP31
AASP227

site_idSWS_FT_FI2
Number of Residues7
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241
ChainResidueDetails
ALYS64
ALYS213
ALYS217
ALYS223
ALYS237
ALYS238
ALYS245

site_idSWS_FT_FI3
Number of Residues4
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN91
AASN110
AASN161
AASN292

223532

PDB entries from 2024-08-07

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