2026-08-22_00000049
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ligand
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13DF
Crystal structure of covalent inhibitor 3-(2-chloroacetamido)-N-(3-methoxyphenyl)benzamide bound to Ubiquitin C-terminal Hydrolase-L3;
X-ray diffraction 1.84Å
Protein #1
238 residues (93% resolved)
Raw Sequence ...
GPLGSPEFMEGQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIHAIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVHVDGHLYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA
Canonical Sequence ...
GPLGSPEFMEGQRWLPLEANPEVTNQFLKQLGLHPNWQFVDVYGMDPELLSMVPRPVCAVLLLFPITEKYEVFRTEEEEKIKSQGQDVTSSVYFMKQTISNACGTIGLIHAIANNKDKMHFESGSTLKKFLEESVSMSPEERARYLENYDAIRVTHETSAHEGQTEAPSIDEKVDLHFIALVHVDGHLYELDGRKPFPINHGETSDETLLEDAIEVCKKFMERDPDELRFNAIALSAA
Non polymer #2
A1DFE
InChI=1S/C16H15ClN2O3/c1-22-14-7-3-6-13(9-14)19-16(21)11-4-2-5-12(8-11)18-15(20)10-17/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChI=1S/C16H15ClN2O3/c1-22-14-7-3-6-13(9-14)19-16(21)11-4-2-5-12(8-11)18-15(20)10-17/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
SMILES: COc1cccc(c1)NC(=O)c2cccc(c2)NC(=O)CCl
COc1cccc(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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