2025-06-21_00000199|ligand|9NBS

Structure of HPK1 with compound R2; X-ray diffraction 1.80Å
Protein #1 311 residues (94% resolved)

MHHHHHHGENLYFQGSDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNGNS

MHHHHHHGENLYFQGSDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNGNS
Non polymer #2 A1BW4

InChI=1S/C25H25ClN4O2/c1-24(23(27)32)8-9-25(13-24)14-29-21-19(25)20(26)18(12-28-21)16-6-3-5-15(11-16)17-7-4-10-30(2)22(17)31/h3-7,10-12H,8-9,13-14H2,1-2H3,(H2,27,32)(H,28,29)/t24-,25-/m0/s1

C[C@@]1(CC[C@]2(C1)CNc3c2c(c(cn3)c4cccc(c4)C5=CC=CN(C5=O)C)Cl)C(=O)N
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #4 MES

InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)

C1COCC[NH+]1CCS(=O)(=O)[O-]
Non polymer #5 NA

InChI=1S/Na/q+1

[Na+]
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Reference