2026-05-16_00000084|ligand|7I9F

Crystal Structure of 16 bound to the PH domain of Btk; X-ray diffraction 2.04Å
Protein #1 169 residues (99% resolved)

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2 A1B6G

InChI=1S/C16H15BrO4/c1-20-13-4-2-3-12(17)15(13)9-5-6-10-11(16(18)19)8-21-14(10)7-9/h2-4,8-9H,5-7H2,1H3,(H,18,19)/t9-/m1/s1

COc1cccc(c1[C@@H]2CCc3c(coc3C2)C(=O)O)Br
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