2026-04-11_00000001
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ligand
|
10NV
Structure of kRas G12C Bound to Inhibitor 13ba;
X-ray diffraction 1.52Å
Protein #1
170 residues (98% resolved)
Raw Sequence ...
GMTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Canonical Sequence ...
GMTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Non polymer #2
A1C60
InChI=1S/C33H39FN8O2/c1-7-26(43)41-16-21(4)42(17-20(41)3)32-25-13-23(14-35)28(27-19(2)10-11-22-15-36-40(6)31(22)27)29(34)30(25)37-33(38-32)44-18-24-9-8-12-39(24)5/h10-11,13,15,20-21,24H,7-9,12,16-18H2,1-6H3/t20-,21+,24+/m1/s1
InChI=1S/C33H39FN8O2/c1-7-26(43)41-16-21(4)42(17-20(41)3)32-25-13-23(14-35)28(27-19(2)10-11-22-15-36-40(6)31(22)27)29(34)30(25)37-33(38-32)44-18-24-9-8-12-39(24)5/h10-11,13,15,20-21,24H,7-9,12,16-18H2,1-6H3/t20-,21+,24+/m1/s1
SMILES: CCC(=O)N1C[C@@H](N(C[C@H]1C)c2c3cc(c(c(c3nc(n2)OC[C@@H]4CCCN4C)F)c5c(ccc6c5n(nc6)C)C)C#N)C
CCC(=O)N1C[C@@H](N(C[C@H]1C)c2c3cc(c(c(c3nc(n2)OC[C@@H]4CCCN4C)F)c5c(ccc6c5n(nc6)C)C)C#N)C
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
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
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
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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