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3CID

Structure of BACE Bound to SCH726222

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
B0004190molecular_functionaspartic-type endopeptidase activity
B0006508biological_processproteolysis
B0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 318 A 501
ChainResidue
AGLY72
AGLY135
APHE169
ATRP176
ATYR259
AASP289
AGLY291
ATHR293
ALEU91
AASP93
AGLY95
ASER96
APRO131
ATYR132
ATHR133
AGLN134

site_idAC2
Number of Residues18
DetailsBINDING SITE FOR RESIDUE 318 B 501
ChainResidue
BGLY72
BLEU91
BASP93
BGLY95
BSER96
BPRO131
BTYR132
BTHR133
BGLN134
BGLY135
BLYS168
BPHE169
BILE171
BTRP176
BTYR259
BASP289
BGLY291
BTHR293

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE TAR B 502
ChainResidue
ALYS300
BHIS106
BPHE108
BSER166
BASP167
BLYS168
BPHE169
BPHE170

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE TAR A 503
ChainResidue
AARG68
AASN89
AHIS110
AARG111
AASN175

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE TAR B 504
ChainResidue
BARG68
BASN89
BHIS110
BARG111
BASN175

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 Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10094
ChainResidueDetails
AASP93
AASP289
BASP93
BASP289

site_idSWS_FT_FI2
Number of Residues14
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241
ChainResidueDetails
ALYS126
BLYS279
BLYS285
BLYS299
BLYS300
BLYS307
ALYS275
ALYS279
ALYS285
ALYS299
ALYS300
ALYS307
BLYS126
BLYS275

site_idSWS_FT_FI3
Number of Residues8
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN153
AASN172
AASN223
AASN354
BASN153
BASN172
BASN223
BASN354

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
ATHR292
AASP289
ASER96
AASP93

site_idCSA10
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BTHR292
BASP289
BASP93
BTHR94

site_idCSA11
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP93

site_idCSA12
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP93

site_idCSA13
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP289

site_idCSA14
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP289

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BTHR292
BASP289
BSER96
BASP93

site_idCSA3
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP289
ASER290
AASP93
ATHR94

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP289
BSER290
BASP93
BTHR94

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP289
ASER96
AASP93

site_idCSA6
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP289
BSER96
BASP93

site_idCSA7
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP289
ASER96
AASP93
ATYR132

site_idCSA8
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP289
BSER96
BASP93
BTYR132

site_idCSA9
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
ATHR292
AASP289
AASP93
ATHR94

222036

PDB entries from 2024-07-03

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