2026-05-16_00000077
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ligand
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7I98
Crystal Structure of 10 bound to the PH domain of Btk;
X-ray diffraction 2.07Å
Protein #1
169 residues (99% resolved)
Raw Sequence ...
AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN
Canonical Sequence ...
AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2
A1B6Q
InChI=1S/C18H20O4/c1-11(2)22-16-6-4-3-5-13(16)12-7-8-14-15(18(19)20)10-21-17(14)9-12/h3-6,10-12H,7-9H2,1-2H3,(H,19,20)/t12-/m0/s1
InChI=1S/C18H20O4/c1-11(2)22-16-6-4-3-5-13(16)12-7-8-14-15(18(19)20)10-21-17(14)9-12/h3-6,10-12H,7-9H2,1-2H3,(H,19,20)/t12-/m0/s1
SMILES: CC(C)Oc1ccccc1[C@H]2CCc3c(coc3C2)C(=O)O
CC(C)Oc1ccccc1[C@H]2CCc3c(coc3C2)C(=O)O
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
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Model
Reference
100%