2026-05-16_00000075|ligand|7I96

Crystal Structure of 4 bound to the PH domain of Btk; X-ray diffraction 2.52Å
Protein #1 169 residues (99% resolved)

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2 A1B6O

InChI=1S/C16H16O4/c1-19-12-4-2-3-10(7-12)11-5-6-13-14(16(17)18)9-20-15(13)8-11/h2-4,7,9,11H,5-6,8H2,1H3,(H,17,18)/t11-/m0/s1

COc1cccc(c1)[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]
Download coordinates
Download coordinates
Reference