2026-02-21_00000146|ligand|9Y1Y

Crystal structure of NRas-G12D in complex with GDP and compound 7; X-ray diffraction 1.70Å
Protein #1 171 residues (99% resolved)

GPMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNSKSFADINLYREQIKRVKDSDDVPMVLVGNKSDLPTRTVDTKQAHELAKSYGIPFIETSAKTRQGVEDAFYTLVREIRQYRMK

GPMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNSKSFADINLYREQIKRVKDSDDVPMVLVGNKSDLPTRTVDTKQAHELAKSYGIPFIETSAKTRQGVEDAFYTLVREIRQYRMK
Non polymer #2 A1CR1

InChI=1S/C24H18F2N4O/c1-3-13-18(25)5-4-11-6-12(31)7-14(19(11)13)23-21(26)24-17(10-28-23)22(29-30(24)2)20-15-8-27-9-16(15)20/h1,4-7,10,15-16,20,27,31H,8-9H2,2H3/t15-,16+,20+

Cn1c2c(cnc(c2F)c3cc(cc4c3c(c(cc4)F)C#C)O)c(n1)C5[C@H]6[C@@H]5CNC6
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