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9D02

Co-crystal structure of circularly permuted human taspase-1 bound to ligand SMDC1014883 (2R)-4-(ethenesulfonyl)-1-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-2-[(prop-2-yn-1-yloxy)methyl]piperazine

Functional Information from PDB Data
site_idAC1
Number of Residues2
Detailsbinding site for residue CL A 401
ChainResidue
AHIS27
AARG30

site_idAC2
Number of Residues5
Detailsbinding site for residue NA A 402
ChainResidue
AGLU242
ASER244
ATHR247
AALA249
AMET251

site_idAC3
Number of Residues20
Detailsbinding site for residue R1J A 403
ChainResidue
ACYS61
ASER144
ACYS146
AILE161
AALA196
AGLY197
AALA198
ATYR200
AHIS201
ASER202
ATYR209
APHE246
ATHR247
AASN248
AGLY252
AHOH514
AHOH532
BARG182
ATHR2
AGLY60

site_idAC4
Number of Residues2
Detailsbinding site for residue CL B 401
ChainResidue
BHIS27
BARG30

site_idAC5
Number of Residues5
Detailsbinding site for residue NA B 402
ChainResidue
BGLU242
BSER244
BTHR247
BALA249
BMET251

site_idAC6
Number of Residues18
Detailsbinding site for residue R1J B 403
ChainResidue
BTHR2
BGLY60
BCYS61
BSER144
BCYS146
BILE161
BALA196
BGLY197
BALA198
BTYR200
BSER202
BTYR209
BPHE246
BASN248
BGLY252
BASN254
BHOH542
BHOH543

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

246031

PDB entries from 2025-12-10

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