2026-08-22_00000047
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ligand
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13CV
Crystal structure of covalent inhibitor 3-(2-chloroacetamido)-N-(pyridin-2-yl)benzamide bound to Ubiquitin C-terminal Hydrolase-L3;
X-ray diffraction 1.94Å
Protein #1
235 residues (93% resolved)
Raw Sequence ...
GPLGSMEGQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIHAIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVHVDGHLYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA
Canonical Sequence ...
GPLGSMEGQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIHAIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVHVDGHLYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA
Non polymer #2
A1DFD
InChI=1S/C14H12ClN3O2/c15-9-13(19)17-11-5-3-4-10(8-11)14(20)18-12-6-1-2-7-16-12/h1-8H,9H2,(H,17,19)(H,16,18,20)
InChI=1S/C14H12ClN3O2/c15-9-13(19)17-11-5-3-4-10(8-11)14(20)18-12-6-1-2-7-16-12/h1-8H,9H2,(H,17,19)(H,16,18,20)
SMILES: c1ccnc(c1)NC(=O)c2cccc(c2)NC(=O)CCl
c1ccnc(c1)NC(=O)c2cccc(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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Biounit #4
monomer
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