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5F01

CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues5
Detailsbinding site for residue NA A 501
ChainResidue
AHIS242
ATYR245
AHOH767
AHOH906
AHOH937

site_idAC2
Number of Residues6
Detailsbinding site for residue NA A 502
ChainResidue
AHOH869
AHOH938
AVAL202
ATHR205
AHOH675
AHOH799

site_idAC3
Number of Residues4
Detailsbinding site for residue DMS A 503
ChainResidue
AARG157
AASN159
AGLU195
AHOH814

site_idAC4
Number of Residues14
Detailsbinding site for residue 5T7 A 504
ChainResidue
AGLY72
AGLY74
ALEU91
AASP93
ATYR132
AILE171
AASP289
ASER290
AGLY291
ATHR292
ATHR293
AALA396
AACT507
AHOH617

site_idAC5
Number of Residues3
Detailsbinding site for residue DMS A 505
ChainResidue
ALYS279
AGLU280
ALYS300

site_idAC6
Number of Residues11
Detailsbinding site for residue GOL A 506
ChainResidue
AHIS106
APHE108
ASER166
AASP167
ALYS168
AILE171
AASN172
AHOH604
AHOH604
AHOH605
AHOH680

site_idAC7
Number of Residues11
Detailsbinding site for residue ACT A 507
ChainResidue
ALYS70
ASER71
AGLY72
AGLN73
AGLY74
ATYR75
AVAL231
AARG368
A5T7504
AHOH621
AHOH686

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 Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP93
AASP289

site_idSWS_FT_FI2
Number of Residues7
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241
ChainResidueDetails
ALYS126
ALYS275
ALYS279
ALYS285
ALYS299
ALYS300
AALA307

site_idSWS_FT_FI3
Number of Residues4
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN153
AASN172
AASN223
AASN354

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PDB entries from 2024-07-10

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