2025-07-19_00000228|ligand|9QQ0

KRAS-G12D(1-169) - GDP IN covalent COMPLEX WITH compound (3R,4R)-3; X-ray diffraction 1.55Å
Protein #1 170 residues (97% resolved)

GMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK

GMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Non polymer #2 A1I9E

InChI=1S/C40H41F3N6O5/c1-4-27-30(42)10-7-22-13-26(50)14-28(32(22)27)34-33(43)35-29(17-44-34)36(46-38(45-35)54-21-40-11-6-12-48(40)18-23(41)15-40)47-19-24-8-9-25(20-47)49(24)31(51)16-39(3,5-2)37(52)53/h1,7,10,13-14,17,23-25,50H,5-6,8-9,11-12,15-16,18-21H2,2-3H3,(H,52,53)/t23-,24-,25+,39-,40+/m1/s1

CC[C@](C)(CC(=O)N1[C@@H]2CC[C@H]1CN(C2)c3c4cnc(c(c4nc(n3)OC[C@@]56CCCN5C[C@@H](C6)F)F)c7cc(cc8c7c(c(cc8)F)C#C)O)C(=O)O
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