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3UQX

Crystal structure of BACE1 with its inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues27
DetailsBINDING SITE FOR RESIDUE ZPZ A 401
ChainResidue
AGLY11
ATHR72
AGLN73
APHE108
ATRP115
ATYR198
AASP228
ASER229
AGLY230
ATHR231
ATHR232
AGLN12
AASN233
AARG235
AARG307
ASER325
AALA335
AURE411
AHOH762
AHOH804
AGLY13
ATYR14
ALEU30
AASP32
AGLY34
APRO70
ATYR71

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 402
ChainResidue
ATYR51
AGLN53
AGLN55
ALYS218
AHOH638
AHOH701
AHOH731

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 403
ChainResidue
AURE406
AHOH780

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 404
ChainResidue
AARG235
ASER327
ASER328
ATHR329
AHOH720

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE URE A 405
ChainResidue
AASP62
AARG64
ALEU213
AMET215
AHOH662
AHOH773

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE URE A 406
ChainResidue
AARG61
AASP62
ASO4403
AHOH574
AHOH597

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE URE A 407
ChainResidue
AVAL67
ATYR68
AARG128
APRO129
ATRP189
AHOH625
AHOH728
AHOH764

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE URE A 408
ChainResidue
APHE-1
ASER22
ASER58
APRO147
AGLY177
AHOH590

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE URE A 409
ChainResidue
ATYR198
ALYS224
ATHR329
AVAL332
AHOH647
AHOH745

site_idBC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE URE A 410
ChainResidue
AHOH568
AHOH628
AHOH775

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE URE A 411
ChainResidue
AZPZ401
AHOH586
AHOH720

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 412
ChainResidue
ASER22
APRO23
APRO91
AASN92

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 413
ChainResidue
ATHR72
ATHR231
AARG235
AHOH647

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

223532

PDB entries from 2024-08-07

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