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3DUY

Crystal structure of human beta-secretase in complex with NVP-AFJ144

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
B0004190molecular_functionaspartic-type endopeptidase activity
B0006508biological_processproteolysis
B0016020cellular_componentmembrane
C0004190molecular_functionaspartic-type endopeptidase activity
C0006508biological_processproteolysis
C0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE AFJ A 501
ChainResidue
AGLY11
ATHR231
ATHR232
AARG235
AGLY13
AASP32
AGLY34
ATYR71
ATHR72
AGLN73
AASP228
AGLY230

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE AFJ B 501
ChainResidue
BGLY13
BASP32
BGLY34
BTYR71
BTHR72
BGLN73
BASP228
BGLY230
BTHR231
BTHR232
BARG235

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE AFJ C 501
ChainResidue
CGLY11
CGLY13
CASP32
CGLY34
CTYR71
CTHR72
CGLN73
CASP228
CGLY230
CTHR231
CTHR232
CARG235

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 Residues6
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
ALEU80
APRO276
BLEU80
BPRO276
CLEU80
CPRO276

site_idSWS_FT_FI2
Number of Residues21
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241
ChainResidueDetails
ASER113
BGLN266
BALA272
BTYR286
BLEU287
BGLN294
CSER113
CTRP262
CGLN266
CALA272
CTYR286
ATRP262
CLEU287
CGLN294
AGLN266
AALA272
ATYR286
ALEU287
AGLN294
BSER113
BTRP262

site_idSWS_FT_FI3
Number of Residues12
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
ALEU140
CPHE159
CGLY210
CPHE341
APHE159
AGLY210
APHE341
BLEU140
BPHE159
BGLY210
BPHE341
CLEU140

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PDB entries from 2024-04-24

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