2024-09-28_00000199|ligand|9BI8

Crystal structure of inhibitor GNE-6893 bound to HPK1; X-ray diffraction 2.25Å
Protein #1 311 residues (93% resolved)

MHHHHHHGENLYFQGSDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNGNS

MHHHHHHGENLYFQGSDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNGNS
Non polymer #2 A1APL

InChI=1S/C23H24FN5O4/c1-11-9-31-10-17(11)33-23(30)29-18-6-13-5-14(19(24)20(25)16(13)8-27-18)15-7-28-22-21(12(15)2)26-3-4-32-22/h5-8,11,17,26H,3-4,9-10,25H2,1-2H3,(H,27,29,30)/t11-,17-/m0/s1

Cc1c(cnc2c1NCCO2)c3cc4cc(ncc4c(c3F)N)NC(=O)O[C@H]5COC[C@@H]5C
Non polymer #3 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
Non polymer #4 NA

InChI=1S/Na/q+1

[Na+]
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