2026-08-22_00000046
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ligand
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13CU
Crystal structure of covalent inhibitor 2-chloro-N-(3-((pyridin-2-ylthio)methyl)phenyl)acetamide bound to Ubiquitin C-terminal Hydrolase-L3;
X-ray diffraction 1.95Å
Protein #1
238 residues (93% resolved)
Raw Sequence ...
GPLGSPEFMEGQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIHAIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVHVDGHLYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA
Canonical Sequence ...
GPLGSPEFMEGQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIHAIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVHVDGHLYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA
Non polymer #2
A1DFC
InChI=1S/C14H13ClN2OS/c15-9-13(18)17-12-5-3-4-11(8-12)10-19-14-6-1-2-7-16-14/h1-8H,9-10H2,(H,17,18)
InChI=1S/C14H13ClN2OS/c15-9-13(18)17-12-5-3-4-11(8-12)10-19-14-6-1-2-7-16-14/h1-8H,9-10H2,(H,17,18)
SMILES: c1ccnc(c1)SCc2cccc(c2)NC(=O)CCl
c1ccnc(c1)SCc2cccc(c2)NC(=O)CCl
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Reference
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