2026-08-22_00000045|ligand|12XE

Crystal structure of KRAS(Q61K) bound to GppNHp and ligand; X-ray diffraction 1.01Å
Protein #1 170 residues (100% resolved)

GMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGKEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK

GMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGKEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Non polymer #2 A1DEM

InChI=1S/C38H37F3N8O2/c1-3-28-31(40)8-5-22-11-27(50)12-29(32(22)28)34-33(41)35-30(14-42-34)36(45-37(44-35)51-20-38-9-4-10-48(38)15-23(39)13-38)47-18-25-6-7-26(19-47)49(25)17-24-16-46(2)21-43-24/h1,5,8,11-12,14,16,21,23,25-26,50H,4,6-7,9-10,13,15,17-20H2,2H3/t23-,25-,26+,38+/m1/s1

Cn1cc(nc1)CN2[C@@H]3CC[C@H]2CN(C3)c4c5cnc(c(c5nc(n4)OC[C@@]67CCCN6C[C@@H](C7)F)F)c8cc(cc9c8c(c(cc9)F)C#C)O
Non polymer #3 GNP

InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1

c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference