2026-05-16_00000072|ligand|7I93

Crystal Structure of 27 bound to the PH domain of Btk; X-ray diffraction 1.91Å
Protein #1 169 residues (93% resolved)

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2 A1B6U

InChI=1S/C16H15ClO4/c1-20-14-7-10(17)3-5-11(14)9-2-4-12-13(16(18)19)8-21-15(12)6-9/h3,5,7-9H,2,4,6H2,1H3,(H,18,19)/t9-/m1/s1

COc1cc(ccc1[C@@H]2CCc3c(coc3C2)C(=O)O)Cl
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