2026-05-23_00000235|ligand|9T21

Crystal Structure of 29 bound to the ph domain of Btk; X-ray diffraction 1.87Å
Protein #1 169 residues (99% resolved)

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2 A1JS7

InChI=1S/C13H12O3S/c14-13(15)10-7-16-11-6-8(3-4-9(10)11)12-2-1-5-17-12/h1-2,5,7-8H,3-4,6H2,(H,14,15)/t8-/m0/s1

c1cc(sc1)[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