2026-05-16_00000310|ligand|9T23

Crystal Structure of 5 bound to the PH domain of Btk; X-ray diffraction 1.84Å
Protein #1 169 residues (99% resolved)

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2 A1JS6

InChI=1S/C16H13F3O3/c17-16(18,19)11-3-1-2-9(6-11)10-4-5-12-13(15(20)21)8-22-14(12)7-10/h1-3,6,8,10H,4-5,7H2,(H,20,21)/t10-/m1/s1

c1cc(cc(c1)C(F)(F)F)[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