2026-05-30_00000357
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ligand
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9ZO9
KRAS G13D Mutant in Complex with GDP and Compound 6.;
X-ray diffraction 1.70Å
Protein #1
171 residues (97% resolved)
Raw Sequence ...
GPMTEYKLVVVGAGDVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Canonical Sequence ...
GPMTEYKLVVVGAGDVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Non polymer #2
A1C3J
InChI=1S/C30H31F2N5O3/c31-19-13-30(8-4-10-37(30)15-19)17-40-29-34-27-24(28(35-29)36-9-3-6-20(38)16-36)14-33-26(25(27)32)23-12-21(39)11-18-5-1-2-7-22(18)23/h1-2,5,7,11-12,14,19-20,38-39H,3-4,6,8-10,13,15-17H2/t19-,20-,30+/m1/s1
InChI=1S/C30H31F2N5O3/c31-19-13-30(8-4-10-37(30)15-19)17-40-29-34-27-24(28(35-29)36-9-3-6-20(38)16-36)14-33-26(25(27)32)23-12-21(39)11-18-5-1-2-7-22(18)23/h1-2,5,7,11-12,14,19-20,38-39H,3-4,6,8-10,13,15-17H2/t19-,20-,30+/m1/s1
SMILES: c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7CCC[C@H](C7)O)F)O
c1ccc2c(c1)cc(cc2c3c(c4c(cn3)c(nc(n4)OC[C@@]56CCCN5C[C@@H](C6)F)N7CCC[C@H](C7)O)F)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
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
SMILES: 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
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
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #5
PO4
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
SMILES: [O-]P(=O)([O-])[O-]
[O-]P(=O)([O-])[O-]
Biounit #1
monomer
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