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2OHR

X-ray crystal structure of beta secretase complexed with compound 6a

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
A0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE IOD A 501
ChainResidue
ASER105
AHOH565

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE IOD A 502
ChainResidue
AHIS45
APHE47
ALYS107

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE DMS A 503
ChainResidue
ASER139
AGLN143
AHOH741
AARG96
AALA97
AASN98
AGLU134

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 8IP A 504
ChainResidue
AGLY11
AASP32
AGLY34
AGLN73
ALYS107
APHE108
AASP228
AGLY230
ATHR231
AHOH760

site_idAC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE GOL A 505
ChainResidue
ALYS9
ASER10
AGLY11
AGLN12
AGLY13
ATYR14
AARG307
AALA335
AGLU339
AHOH658
AHOH730

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

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP32

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP228

site_idCSA3
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
ATHR231
AASP228
ASER35
AASP32

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP228
ASER229
AASP32
ATHR33

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP228
ASER35
AASP32

site_idCSA6
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP228
ASER35
ATYR71
AASP32

site_idCSA7
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
ATHR231
AASP228
AASP32
ATHR33

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PDB entries from 2024-11-06

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