2026-08-01_00000205
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ligand
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31WB
Crystal structure of the HPK1 kinase domain in complex with inhibitor 6b;
X-ray diffraction 1.31Å
Protein #1
294 residues (97% resolved)
Raw Sequence ...
GSDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKN
Canonical Sequence ...
GSDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKN
Non polymer #2
A1KCQ
InChI=1S/C26H25N7O2/c1-16-23(21-12-28-13-22-24(21)29-15-31(22)2)30-26-20(25(27)34)11-18(14-33(16)26)17-3-5-19(6-4-17)32-7-9-35-10-8-32/h3-6,11-15H,7-10H2,1-2H3,(H2,27,34)
InChI=1S/C26H25N7O2/c1-16-23(21-12-28-13-22-24(21)29-15-31(22)2)30-26-20(25(27)34)11-18(14-33(16)26)17-3-5-19(6-4-17)32-7-9-35-10-8-32/h3-6,11-15H,7-10H2,1-2H3,(H2,27,34)
SMILES: Cc1c(nc2n1cc(cc2C(=O)N)c3ccc(cc3)N4CCOCC4)c5cncc6c5ncn6C
Cc1c(nc2n1cc(cc2C(=O)N)c3ccc(cc3)N4CCOCC4)c5cncc6c5ncn6C
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
Download coordinates
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Model
Reference
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