2026-05-16_00000070|ligand|7I91

Crystal Structure of 13 bound to the PH domain of Btk; X-ray diffraction 1.93Å
Protein #1 169 residues (99% resolved)

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN

AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2 A1B6S

InChI=1S/C14H14NO4/c16-14(17)11-8-19-13-7-9(4-5-10(11)13)12-3-1-2-6-15(12)18/h1-3,6,8-9,18H,4-5,7H2,(H,16,17)/t9-/m1/s1

c1c(c2c(o1)C[C@@H](CC2)C3=[N](C=CC=C3)O)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