2026-05-16_00000081|ligand|7I9C

Crystal Structure of 30 bound to the PH domain of Btk; X-ray diffraction 1.94Å
Protein #1 169 residues (99% resolved)

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2 A1B6L

InChI=1S/C13H11BrO3S/c14-10-3-4-18-12(10)7-1-2-8-9(13(15)16)6-17-11(8)5-7/h3-4,6-7H,1-2,5H2,(H,15,16)/t7-/m1/s1

c1csc(c1Br)[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