2026-05-16_00000073|ligand|7I94

Crystal Structure of 33 bound to the PH domain of Btk; X-ray diffraction 1.83Å
Protein #1 169 residues (96% resolved)

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPAFWIDGQYLCCSQTAKNAMGCQILEN

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPAFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2 A1B6X

InChI=1S/C13H15BrO3S/c14-8-4-12(18-6-8)7-1-2-9-10(13(15)16)5-17-11(9)3-7/h5,7-8,12H,1-4,6H2,(H,15,16)/t7-,8-,12-/m0/s1

c1c(c2c(o1)C[C@H](CC2)C3CC(CS3)Br)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