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9D03

Co-crystal structure of circularly permuted human taspase-1 bound to ligand SMDC1014689 1-(ethenesulfonyl)-4-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}piperazine

Functional Information from PDB Data
site_idAC1
Number of Residues5
Detailsbinding site for residue NA A 401
ChainResidue
AGLU242
ASER244
ATHR247
AALA249
AMET251

site_idAC2
Number of Residues2
Detailsbinding site for residue CL A 402
ChainResidue
AHIS27
AARG30

site_idAC3
Number of Residues13
Detailsbinding site for residue R1M A 403
ChainResidue
ASER144
AMET145
ACYS146
AILE161
AALA196
AGLY197
AALA198
ATYR200
ATYR209
AASN248
AASN254
ATHR2
ACYS61

site_idAC4
Number of Residues2
Detailsbinding site for residue CL A 404
ChainResidue
AGLU316
BGLU316

site_idAC5
Number of Residues5
Detailsbinding site for residue NA B 401
ChainResidue
BGLU242
BSER244
BTHR247
BALA249
BMET251

site_idAC6
Number of Residues2
Detailsbinding site for residue CL B 402
ChainResidue
BHIS27
BARG30

site_idAC7
Number of Residues14
Detailsbinding site for residue R1M B 403
ChainResidue
BTHR2
BGLY60
BCYS61
BSER144
BCYS146
BILE161
BALA196
BGLY197
BALA198
BTYR200
BHIS201
BTYR209
BASN248
BASN254

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsActive site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"16216576","evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

245663

PDB entries from 2025-12-03

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