2025-04-12_00000242|ligand|9GH1

Human KRas4A (GMPPNP) in complex with compound 34; X-ray diffraction 1.33Å
Protein #1 172 residues (93% resolved)

GGSMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLK

GGSMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQRVEDAFYTLVREIRQYRLK
Non polymer #2 A1IK5

InChI=1S/C32H47ClN8O4S2/c33-26-12-13-27(42)32-28(26)46(32)31-39-47(44,45)24-18-25(29(37-19-24)38-22-8-6-21(7-9-22)36-15-14-34)30(43)40(16-2-1-3-17-41(31)32)23-10-4-20(35)5-11-23/h13,18-23,31,36,39H,1-12,14-17,34-35H2,(H-,37,38,42,43)/p+1/t20-,21-,22+,23+,31-,32?,46?/m1/s1

c1c2cnc(c1C(=O)N(CCCCCN3C(NS2(=O)=O)[S+]4C35C4=C(CC=C5O)Cl)C6CCC(CC6)N)NC7CCC(CC7)NCCN
Non polymer #3 CO

InChI=1S/Co/q+2

[Co+2]
Non polymer #4 GNP

InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1

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