2026-07-04_00000160
|
ligand
|
9T3G
Crystal Structure of 12 bound to the PH domain of Btk;
X-ray diffraction 1.95Å
Protein #1
169 residues (91% resolved)
Raw Sequence ...
AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN
Canonical Sequence ...
AAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPSFWIDGQYLCCSQTAKNAMGCQILEN
Non polymer #2
A1JTA
InChI=1S/C14H13NO3/c16-14(17)11-8-18-13-7-9(4-5-10(11)13)12-3-1-2-6-15-12/h1-3,6,8-9H,4-5,7H2,(H,16,17)/t9-/m0/s1
InChI=1S/C14H13NO3/c16-14(17)11-8-18-13-7-9(4-5-10(11)13)12-3-1-2-6-15-12/h1-3,6,8-9H,4-5,7H2,(H,16,17)/t9-/m0/s1
SMILES: c1ccnc(c1)[C@H]2CCc3c(coc3C2)C(=O)O
c1ccnc(c1)[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
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Biounit #3
monomer
Download coordinates
Biounit #4
monomer
Download coordinates
Tube
Model
Reference
100%