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4X2L

Crystal structure of human BACE-1 bound to Compound 6

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues10
Detailsbinding site for residue 3WP A 401
ChainResidue
ALEU30
AHOH507
AASP32
ATYR71
APHE108
ATRP115
AILE118
AASP228
AGLY230
ADMS410

site_idAC2
Number of Residues1
Detailsbinding site for residue IOD A 403
ChainResidue
ALYS107

site_idAC3
Number of Residues3
Detailsbinding site for residue NA A 404
ChainResidue
ASER328
AHOH509
AHOH522

site_idAC4
Number of Residues2
Detailsbinding site for residue NA A 405
ChainResidue
AHIS181
ATYR184

site_idAC5
Number of Residues7
Detailsbinding site for residue GOL A 406
ChainResidue
ALYS9
AGLY11
AGLY13
ASER229
ATHR232
AGLU339
ADMS410

site_idAC6
Number of Residues8
Detailsbinding site for residue GOL A 407
ChainResidue
AARG54
AGLN55
ALEU149
AILE179
AARG349
AARG351
AHOH513
AHOH520

site_idAC7
Number of Residues5
Detailsbinding site for residue GOL A 408
ChainResidue
ATYR68
AARG128
APRO129
AGLU265
AGLN266

site_idAC8
Number of Residues4
Detailsbinding site for residue DMS A 409
ChainResidue
AARG96
AALA97
AASN98
AGLU134

site_idAC9
Number of Residues6
Detailsbinding site for residue DMS A 410
ChainResidue
AGLY11
AGLN12
AGLY13
AGLY230
A3WP401
AGOL406

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 2024-10-09

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