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4WY6

Crystal structure of human BACE-1 bound to Compound 36

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues9
Detailsbinding site for residue 3VP A 401
ChainResidue
AASP32
ASER35
AVAL69
ATYR71
APHE108
ATRP115
AASP228
AGLY230
ADMS407

site_idAC2
Number of Residues1
Detailsbinding site for residue IOD A 402
ChainResidue
ASER105

site_idAC3
Number of Residues1
Detailsbinding site for residue IOD A 403
ChainResidue
AHOH549

site_idAC4
Number of Residues1
Detailsbinding site for residue IOD A 404
ChainResidue
ALYS107

site_idAC5
Number of Residues1
Detailsbinding site for residue IOD A 405
ChainResidue
AARG349

site_idAC6
Number of Residues1
Detailsbinding site for residue IOD A 406
ChainResidue
AARG96

site_idAC7
Number of Residues8
Detailsbinding site for residue DMS A 407
ChainResidue
AGLY11
AGLN12
AGLY13
AGLY230
ATHR232
A3VP401
AHOH606
AHOH642

site_idAC8
Number of Residues7
Detailsbinding site for residue DMS A 408
ChainResidue
ALYS9
AGLY11
AGLN12
AGLY13
ATYR14
ATHR232
AGLU339

site_idAC9
Number of Residues4
Detailsbinding site for residue DMS A 409
ChainResidue
ATHR19
AGLY21
ASER22
ALEU84

site_idAD1
Number of Residues4
Detailsbinding site for residue DMS A 410
ChainResidue
AVAL93
ATHR144
AHIS145
AVAL146

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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