2026-05-30_00000358
|
ligand
|
9ZPA
KRAS G12V Mutant in Complex with GDP and Compound 12.;
X-ray diffraction 1.68Å
Protein #1
171 residues (99% resolved)
Raw Sequence ...
GPMTEYKLVVVGAVGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Canonical Sequence ...
GPMTEYKLVVVGAVGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
Non polymer #2
A1C3N
InChI=1S/C35H37F3N6O4/c1-34-8-3-10-43(18-34)31-25-16-39-29(28(38)30(25)40-32(41-31)48-19-35-9-4-11-44(35)17-21(36)15-35)24-14-22(45)13-20-6-7-26(37)23(27(20)24)5-2-12-47-33(46)42-34/h6-7,13-14,16,21,45H,2-5,8-12,15,17-19H2,1H3,(H,42,46)/t21-,34-,35+/m1/s1
InChI=1S/C35H37F3N6O4/c1-34-8-3-10-43(18-34)31-25-16-39-29(28(38)30(25)40-32(41-31)48-19-35-9-4-11-44(35)17-21(36)15-35)24-14-22(45)13-20-6-7-26(37)23(27(20)24)5-2-12-47-33(46)42-34/h6-7,13-14,16,21,45H,2-5,8-12,15,17-19H2,1H3,(H,42,46)/t21-,34-,35+/m1/s1
SMILES: C[C@@]12CCC[N@@](C1)c3c4cnc(c(c4nc(n3)OC[C@@]56CCCN5C[C@@H](C6)F)F)-c7cc(cc8c7c(c(cc8)F)CCCOC(=O)N2)O
C[C@@]12CCC[N@@](C1)c3c4cnc(c(c4nc(n3)OC[C@@]56CCCN5C[C@@H](C6)F)F)-c7cc(cc8c7c(c(cc8)F)CCCOC(=O)N2)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]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%