2026-08-01_00000002
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ligand
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10KA
Co-crystal Structure of CHI3L1 bound to DELC2 small molecule ligand;
X-ray diffraction 2.47Å
Protein #1
401 residues (90% resolved)
Raw Sequence ...
MGVKASQTGFVVLVLLQCCSAYKLVCYYTSWSQYREGDGSCFPDALDRFLCTHIIYSFANISNDHIDTWEWNDVTLYGMLNTLKNRNPNLKTLLSVGGWNFGSQRFSKIASNTQSRRTFIKSVPPFLRTHGFDGLDLAWLYPGRGDKQHFTTLIKEMKAEFIKEAQPGKKQLLLSAALSAGKVTIDSSYDIAKISQHLDFISIMTYDFHGAWRGTTGHHSPLFRGQEDASPDRFSNTDYAVGYMLRLGAPASKLVMGIPTFGRSFTLASSETGVGAPISGPGIPGRFTKEAGTLAYYEICDFLRGATVHRILGQQVPYATKGNQWVGYDDQESVKSKVQYLKDRQLAGAMVWALDLDDFQGSFCGQDLRFPLTNAIKDALAATLEVLFQGPHHHHHHHHHH
Canonical Sequence ...
MGVKASQTGFVVLVLLQCCSAYKLVCYYTSWSQYREGDGSCFPDALDRFLCTHIIYSFANISNDHIDTWEWNDVTLYGMLNTLKNRNPNLKTLLSVGGWNFGSQRFSKIASNTQSRRTFIKSVPPFLRTHGFDGLDLAWLYPGRGDKQHFTTLIKEMKAEFIKEAQPGKKQLLLSAALSAGKVTIDSSYDIAKISQHLDFISIMTYDFHGAWRGTTGHHSPLFRGQEDASPDRFSNTDYAVGYMLRLGAPASKLVMGIPTFGRSFTLASSETGVGAPISGPGIPGRFTKEAGTLAYYEICDFLRGATVHRILGQQVPYATKGNQWVGYDDQESVKSKVQYLKDRQLAGAMVWALDLDDFQGSFCGQDLRFPLTNAIKDALAATLEVLFQGPHHHHHHHHHH
Non polymer #2
A1C9L
InChI=1S/C32H43N5O3/c1-3-7-27(29(38)33-2)36-31(40)32-16-6-8-25(32)20-37(21-32)30(39)28(18-22-10-11-22)35-19-23-12-14-24(15-13-23)26-9-4-5-17-34-26/h4-5,9,12-15,17,22,25,27-28,35H,3,6-8,10-11,16,18-21H2,1-2H3,(H,33,38)(H,36,40)/t25-,27+,28+,32-/m0/s1
InChI=1S/C32H43N5O3/c1-3-7-27(29(38)33-2)36-31(40)32-16-6-8-25(32)20-37(21-32)30(39)28(18-22-10-11-22)35-19-23-12-14-24(15-13-23)26-9-4-5-17-34-26/h4-5,9,12-15,17,22,25,27-28,35H,3,6-8,10-11,16,18-21H2,1-2H3,(H,33,38)(H,36,40)/t25-,27+,28+,32-/m0/s1
SMILES: CCC[C@H](C(=O)NC)NC(=O)[C@]12CCC[C@H]1CN(C2)C(=O)[C@@H](CC3CC3)NCc4ccc(cc4)c5ccccn5
CCC[C@H](C(=O)NC)NC(=O)[C@]12CCC[C@H]1CN(C2)C(=O)[C@@H](CC3CC3)NCc4ccc(cc4)c5ccccn5
Biounit #1
hetero-1-1-mer
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Biounit #2
hetero-1-1-mer
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Model
Reference
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