2026-02-21_00000143|ligand|9Y0G

Crystal structure of NRas-G12D in complex with GDP and compound 1; X-ray diffraction 1.80Å
Protein #1 171 residues (99% resolved)

GPMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNSKSFADINLYREQIKRVKDSDDVPMVLVGNKSDLPTRTVDTKQAHELAKSYGIPFIETSAKTRQGVEDAFYTLVREIRQYRMK

GPMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNSKSFADINLYREQIKRVKDSDDVPMVLVGNKSDLPTRTVDTKQAHELAKSYGIPFIETSAKTRQGVEDAFYTLVREIRQYRMK
Non polymer #2 A1CRR

InChI=1S/C30H34ClFN6O2/c31-23-12-20(39)11-21(24(23)17-3-4-17)26-25(32)27-22(13-33-26)28(37-14-18-5-6-19(15-37)34-18)36-29(35-27)40-16-30-7-1-9-38(30)10-2-8-30/h11-13,17-19,34,39H,1-10,14-16H2/t18-,19+

c1c(cc(c(c1c2c(c3c(cn2)c(nc(n3)OCC45CCCN4CCC5)N6C[C@H]7CC[C@@H](C6)N7)F)C8CC8)Cl)O
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