2026-05-16_00000086|ligand|7I9H

Crystal Structure of 26 bound to the PH domain of Btk; X-ray diffraction 2.59Å
Protein #1 169 residues (97% resolved)

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2 A1B6I

InChI=1S/C17H18O5/c1-20-11-4-6-15(21-2)13(8-11)10-3-5-12-14(17(18)19)9-22-16(12)7-10/h4,6,8-10H,3,5,7H2,1-2H3,(H,18,19)/t10-/m0/s1

COc1ccc(c(c1)[C@H]2CCc3c(coc3C2)C(=O)O)OC
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference