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4XXS

Crystal structure of BACE1 with a pyrazole-substituted tetrahydropyran thioamidine

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues14
Detailsbinding site for residue SI5 A 401
ChainResidue
AASP32
ATYR198
AASP228
AGLY230
ADMS406
AHOH711
AGLY34
ASER35
ATYR71
AGLN73
APHE108
ATRP115
AILE118
AARG128

site_idAC2
Number of Residues2
Detailsbinding site for residue IOD A 402
ChainResidue
ASER105
AHOH737

site_idAC3
Number of Residues1
Detailsbinding site for residue IOD A 403
ChainResidue
ALYS107

site_idAC4
Number of Residues14
Detailsbinding site for residue GOL A 404
ChainResidue
ALYS9
ASER10
AGLY11
AGLN12
AGLY13
ATYR14
AVAL170
ATHR232
AARG307
AALA335
AGLU339
ADMS406
AHOH720
AHOH746

site_idAC5
Number of Residues3
Detailsbinding site for residue DMS A 405
ChainResidue
ALYS218
AGLU219
ALYS239

site_idAC6
Number of Residues9
Detailsbinding site for residue DMS A 406
ChainResidue
AGLY11
AGLN12
AGLY13
AILE110
AGLY230
ATHR232
ASI5401
AGOL404
AHOH720

site_idAC7
Number of Residues3
Detailsbinding site for residue DMS A 407
ChainResidue
AARG96
AASN98
AGLU134

site_idAC8
Number of Residues6
Detailsbinding site for residue GOL A 408
ChainResidue
ATHR19
AVAL20
AGLY21
ASER22
ALEU84
ASER86

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

224004

PDB entries from 2024-08-21

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