2026-02-21_00000148|ligand|9Y3W

Crystal structure of NRas-G12D in complex with GDP and compound 13; X-ray diffraction 1.56Å
Protein #1 171 residues (99% resolved)

GPMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNSKSFADINLYREQIKRVKDSDDVPMVLVGNKSDLPTRTVDTKQAHELAKSYGIPFIETSAKTRQGVEDAFYTLVREIRQYRMK

GPMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNSKSFADINLYREQIKRVKDSDDVPMVLVGNKSDLPTRTVDTKQAHELAKSYGIPFIETSAKTRQGVEDAFYTLVREIRQYRMK
Non polymer #2 A1CSD

InChI=1S/C29H26F2N4O/c1-4-17-21(30)8-5-14-9-16(36)10-18(22(14)17)27-25(31)29-24(26(33-27)13(2)3)28(34-35(29)15-6-7-15)23-19-11-32-12-20(19)23/h1,5,8-10,13,15,19-20,23,32,36H,6-7,11-12H2,2-3H3/t19-,20+,23+

CC(C)c1c2c(c(c(n1)c3cc(cc4c3c(c(cc4)F)C#C)O)F)n(nc2C5[C@H]6[C@@H]5CNC6)C7CC7
Non polymer #3 CIT

InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Non polymer #4 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 #5 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference