2026-03-28_00000186|ligand|9VNG

Small GTPase RhoA Y42C mutant in complex with covalent inhibitor; X-ray diffraction 1.43Å
Protein #1 182 residues (95% resolved)

GMAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENCVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQA

GMAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENCVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQA
Non polymer #2 A1D9L

InChI=1S/C10H10N2O2/c13-12(14)7-5-8-2-1-3-10-9(8)4-6-11-10/h1-4,6,11H,5,7H2

c1cc(c2cc[nH]c2c1)CC[N+](=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