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1YM2

Crystal structure of human beta secretase complexed with NVP-AUR200

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 Residues22
DetailsBINDING SITE FOR CHAIN X OF NVP-AUR200 INHIBITOR
ChainResidue
ALEU30
AILE126
ATYR198
AASP228
AGLY230
ATHR231
ATHR232
AARG235
AHOH1026
AHOH1040
AHOH1177
AASP32
XHOH1016
XHOH1017
XHOH1196
AGLY34
AVAL69
APRO70
ATYR71
ATHR72
AGLN73
AILE110

site_idAC2
Number of Residues23
DetailsBINDING SITE FOR CHAIN Y OF NVP-AUR200 INHIBITOR
ChainResidue
BGLY11
BGLN12
BGLY13
BLEU30
BASP32
BGLY34
BPRO70
BTYR71
BTHR72
BGLN73
BILE110
BILE126
BTYR198
BASP228
BGLY230
BTHR231
BTHR232
BARG235
BHOH2026
BHOH2030
YHOH2010
YHOH2029
YHOH2058

site_idAC3
Number of Residues22
DetailsBINDING SITE FOR CHAIN Z OF NVP-AUR200 INHIBITOR
ChainResidue
CGLN12
CGLY13
CLEU30
CASP32
CGLY34
CPRO70
CTYR71
CTHR72
CGLN73
CILE110
CILE126
CTYR198
CASP228
CGLY230
CTHR231
CTHR232
CARG235
CHOH3035
CHOH3041
ZHOH3020
ZHOH3043
ZHOH3090

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
AASP32
AASP228
BASP32
BASP228
CASP32
CASP228

site_idSWS_FT_FI2
Number of Residues21
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17425515, ECO:0000269|PubMed:19011241
ChainResidueDetails
ALYS65
BLYS218
BLYS224
BLYS238
BLYS239
BLYS246
CLYS65
CLYS214
CLYS218
CLYS224
CLYS238
ALYS214
CLYS239
CLYS246
ALYS218
ALYS224
ALYS238
ALYS239
ALYS246
BLYS65
BLYS214

site_idSWS_FT_FI3
Number of Residues12
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255
ChainResidueDetails
AASN92
CASN111
CASN162
CASN293
AASN111
AASN162
AASN293
BASN92
BASN111
BASN162
BASN293
CASN92

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
ATHR231
AASP228
ASER35
AASP32

site_idCSA10
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP228
ASER35
ATYR71
AASP32

site_idCSA11
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP228
BSER35
BTYR71
BASP32

site_idCSA12
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CASP228
CSER35
CTYR71
CASP32

site_idCSA13
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
ATHR231
AASP228
AASP32
ATHR33

site_idCSA14
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BTHR231
BASP228
BASP32
BTHR33

site_idCSA15
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CTHR231
CASP228
CASP32
CTHR33

site_idCSA16
Number of Residues2
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP228
AASP32

site_idCSA17
Number of Residues2
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP228
BASP32

site_idCSA18
Number of Residues2
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CASP228
CASP32

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BTHR231
BASP228
BSER35
BASP32

site_idCSA3
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CTHR231
CASP228
CSER35
CASP32

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

site_idCSA5
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP228
BSER229
BASP32
BTHR33

site_idCSA6
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CASP228
CSER229
CASP32
CTHR33

site_idCSA7
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP228
ASER35
AASP32

site_idCSA8
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
BASP228
BSER35
BASP32

site_idCSA9
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
CASP228
CSER35
CASP32

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PDB entries from 2024-07-17

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