2026-08-01_00000000
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ligand
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10JV
Crystal structure of human CHI3L1 in complex with the CHI-DEL small molecule;
X-ray diffraction 2.81Å
Protein #1
401 residues (90% resolved)
Raw Sequence ...
MGVKASQTGFVVLVLLQCCSAYKLVCYYTSWSQYREGDGSCFPDALDRFLCTHIIYSFANISNDHIDTWEWNDVTLYGMLNTLKNRNPNLKTLLSVGGWNFGSQRFSKIASNTQSRRTFIKSVPPFLRTHGFDGLDLAWLYPGRGDKQHFTTLIKEMKAEFIKEAQPGKKQLLLSAALSAGKVTIDSSYDIAKISQHLDFISIMTYDFHGAWRGTTGHHSPLFRGQEDASPDRFSNTDYAVGYMLRLGAPASKLVMGIPTFGRSFTLASSETGVGAPISGPGIPGRFTKEAGTLAYYEICDFLRGATVHRILGQQVPYATKGNQWVGYDDQESVKSKVQYLKDRQLAGAMVWALDLDDFQGSFCGQDLRFPLTNAIKDALAATLEVLFQGPHHHHHHHHHH
Canonical Sequence ...
MGVKASQTGFVVLVLLQCCSAYKLVCYYTSWSQYREGDGSCFPDALDRFLCTHIIYSFANISNDHIDTWEWNDVTLYGMLNTLKNRNPNLKTLLSVGGWNFGSQRFSKIASNTQSRRTFIKSVPPFLRTHGFDGLDLAWLYPGRGDKQHFTTLIKEMKAEFIKEAQPGKKQLLLSAALSAGKVTIDSSYDIAKISQHLDFISIMTYDFHGAWRGTTGHHSPLFRGQEDASPDRFSNTDYAVGYMLRLGAPASKLVMGIPTFGRSFTLASSETGVGAPISGPGIPGRFTKEAGTLAYYEICDFLRGATVHRILGQQVPYATKGNQWVGYDDQESVKSKVQYLKDRQLAGAMVWALDLDDFQGSFCGQDLRFPLTNAIKDALAATLEVLFQGPHHHHHHHHHH
Non polymer #2
A1C9M
InChI=1S/C25H23FN4O5S/c1-14-28-20-9-7-15(11-22(20)35-14)25(32)30-13-16(12-21(30)24(31)27-2)29-36(33,34)23-10-8-19(26)17-5-3-4-6-18(17)23/h3-11,16,21,29H,12-13H2,1-2H3,(H,27,31)/t16-,21-/m0/s1
InChI=1S/C25H23FN4O5S/c1-14-28-20-9-7-15(11-22(20)35-14)25(32)30-13-16(12-21(30)24(31)27-2)29-36(33,34)23-10-8-19(26)17-5-3-4-6-18(17)23/h3-11,16,21,29H,12-13H2,1-2H3,(H,27,31)/t16-,21-/m0/s1
SMILES: Cc1nc2ccc(cc2o1)C(=O)N3C[C@H](C[C@H]3C(=O)NC)NS(=O)(=O)c4ccc(c5c4cccc5)F
Cc1nc2ccc(cc2o1)C(=O)N3C[C@H](C[C@H]3C(=O)NC)NS(=O)(=O)c4ccc(c5c4cccc5)F
Biounit #1
hetero-1-1-mer
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Biounit #2
hetero-1-1-mer
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Biounit #3
hetero-1-1-mer
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Biounit #4
hetero-1-1-mer
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Model
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