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2V00

X-ray crystal structure of endothiapepsin complexed with compound 1

Functional Information from GO Data
ChainGOidnamespacecontents
A0004190molecular_functionaspartic-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A1331
ChainResidue
AVAL272
APRO274
ATYR277
AALA312
ASER329
ALYS330
AHOH2578
AHOH2581
AHOH2583

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A1332
ChainResidue
AGLY37
AGLY80
AILE217
AASP219
ATHR222
AILE304
AACT1334
AV151336
AHOH2584

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A1333
ChainResidue
AALA237
AGLN238
ASER240
AHOH2585
AHOH2586

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A1334
ChainResidue
AGLY37
ASER38
ASER78
APHE194
AGOL1332
AHOH2584

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A1335
ChainResidue
AASP81
AGLY221
ATHR222
ATHR223
AHOH2588
AHOH2589

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE V15 A1336
ChainResidue
AASP33
AASP35
ATYR79
AASP81
APHE116
AASP219
AGLY221
ATHR222
AGOL1332
AHOH2584

Functional Information from PROSITE/UniProt
site_idPS00141
Number of Residues12
DetailsASP_PROTEASE Eukaryotic and viral aspartyl proteases active site. LDFDTGSSDLWV
ChainResidueDetails
ALEU32-VAL43
AGLY216-LEU227

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE:
ChainResidueDetails
AASP35
ASER199

Catalytic Information from CSA
site_idCSA1
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
ASER38
AASP35
ATHR222
AASP219

site_idCSA2
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP35
ATHR220
AASP219
ATHR36

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
ASER38
AASP35
AASP219

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP35
ATHR222
AASP219
ATHR36

site_idCSA5
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP35

site_idCSA6
Number of Residues1
DetailsAnnotated By Reference To The Literature 1am5
ChainResidueDetails
AASP219

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PDB entries from 2025-06-18

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