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8GDY

Crystal structure of the human PDI first domain with 9 mutations

Functional Information from PROSITE/UniProt
site_idPS00194
Number of Residues19
DetailsTHIOREDOXIN_1 Thioredoxin family active site. LVeFYapWCGHCRaLapeY
ChainResidueDetails
ALEU45-TYR63

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Nucleophile
ChainResidueDetails
ACYS53
ACYS56
BCYS53
BCYS56

site_idSWS_FT_FI2
Number of Residues4
DetailsSITE: Contributes to redox potential value
ChainResidueDetails
AGLY54
AHIS55
BGLY54
BHIS55

site_idSWS_FT_FI3
Number of Residues2
DetailsSITE: Lowers pKa of C-terminal Cys of first active site
ChainResidueDetails
AARG120
BARG120

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 191
ChainResidueDetails
ACYS53nucleofuge, nucleophile, proton acceptor, proton donor
AGLY54activator, modifies pKa
AHIS55modifies pKa, proton acceptor, proton donor
ACYS56

site_idMCSA2
Number of Residues4
DetailsM-CSA 191
ChainResidueDetails
BCYS53nucleofuge, nucleophile, proton acceptor, proton donor
BGLY54activator, modifies pKa
BHIS55modifies pKa, proton acceptor, proton donor
BCYS56

219869

PDB entries from 2024-05-15

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