2025-07-19_00000227|ligand|9QPZ

KRAS-WT(1-169) - GDP IN COMPLEX WITH compound (R)-1; X-ray diffraction 1.31Å
Protein #1 170 residues (99% resolved)

GMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK

GMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Non polymer #2 A1I89

InChI=1S/C39H37F3N6O5/c1-4-25-28(41)9-6-20-12-24(49)13-26(29(20)25)31-30(42)32-27(15-43-31)34(45-37(44-32)52-19-39-10-5-11-47(39)16-21(40)14-39)46-17-22-7-8-23(18-46)48(22)35(50)33-38(2,3)36(51)53-33/h1,6,9,12-13,15,21-23,33,49H,5,7-8,10-11,14,16-19H2,2-3H3/t21-,22-,23+,33+,39+/m1/s1

CC1([C@@H](OC1=O)C(=O)N2[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)C
Non polymer #3 GDP

InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=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