2026-05-16_00000083|ligand|7I9E

Crystal Structure of 18 bound to the PH domain of Btk; X-ray diffraction 1.91Å
Protein #1 169 residues (99% resolved)

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILEN

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2 A1B6N

InChI=1S/C17H18O5/c1-20-13-4-3-5-14(21-2)16(13)10-6-7-11-12(17(18)19)9-22-15(11)8-10/h3-5,9-10H,6-8H2,1-2H3,(H,18,19)/t10-/m0/s1

COc1cccc(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