2026-05-16_00000085|ligand|7I9G

Crystal Structure of 28 bound to the PH domain of Btk; X-ray diffraction 1.70Å
Protein #1 169 residues (99% resolved)

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2 A1B6H

InChI=1S/C16H15ClO4/c1-20-15-7-10(3-5-13(15)17)9-2-4-11-12(16(18)19)8-21-14(11)6-9/h3,5,7-9H,2,4,6H2,1H3,(H,18,19)/t9-/m0/s1

COc1cc(ccc1Cl)[C@H]2CCc3c(coc3C2)C(=O)O
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