2026-05-16_00000295|ligand|9RMO

Crystal Structure of 31 bound to the PH domain of Btk; X-ray diffraction 1.80Å
Protein #1 169 residues (97% resolved)

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPAFWIDGQYLCCSQTAKNAMGCQILEN

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPAFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2 A1JIA

InChI=1S/C13H9BrO3S/c14-12-4-3-11(18-12)7-1-2-8-9(13(15)16)6-17-10(8)5-7/h1-4,6-7H,5H2,(H,15,16)/t7-/m1/s1

c1cc(sc1[C@H]2Cc3c(c(co3)C(=O)O)C=C2)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