9VNG: Small GTPase RhoA Y42C mutant

Small GTPase RhoA Y42C mutant in complex with covalent inhibitor. Determined by X-ray diffraction at 1.43 Å resolution. Released 1 Apr 2026.

Method: X-ray diffraction
Resolution: 1.43 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,519
Mol. weight: 21.12 kDa
Ligands: MG, A1D9L, GDP
Released: 1 Apr 2026

Explore 9VNG in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9VNG contains 10 α-helices and 6 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 10 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	4-12	9	1
α-helix	18-27	10
β-strand	43-48	6	1
β-strand	51-58	8	1
α-helix	70-73	4
β-strand	79-85	7	1
α-helix	89-94	6
α-helix	95-99	5
α-helix	100-106	7
β-strand	112-117	6	1
α-helix	119-121	3
α-helix	125-133	9
α-helix	138-140	3
α-helix	141-151	11
β-strand	155-158	4	1
α-helix	167-178	12

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Transforming protein RhoA	A	protein	182	Homo sapiens	P61586 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>9VNG_1 Transforming protein RhoA (chains A)
GMAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENCVADIEVDGKQVELALWD
TAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKK
DLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAAL
QA

Ligands and cofactors

ID	Name	Formula	Copies
MG	Magnesium ion	Mg	1
A1D9L	4-(2-nitroethyl)-1~{H}-indole	C10 H10 N2 O2	1
GDP	Guanosine-5'-diphosphate	C10 H15 N5 O11 P2	1

Primary citation

Discovering Targetable Conformation of RhoA Mutant by Integrating Native Mass Spectrometry, Ultraviolet Photodissociation, and X-ray Diffraction. Wu, H., Liu, Z., Jiang, H. et al. J Am Chem Soc (2026) 148:11709-11718. DOI 10.1021/jacs.5c20067 · PubMed

Other PDB entries of the same protein (UniProt P61586 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6V6U 1.16 Å, Crystal structure of RhoA-GDP with novel Switch I conformation
5C4M 1.3 Å, RhoA GDP with novel switch II conformation
7G83 1.31 Å, ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z108545814
7G8T 1.39 Å, ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1273312142
6V6M 1.39 Å, Crystal structure of an inactive state of GMPPNP-bound RhoA
6V6V 1.4 Å, Crystal structure of oncogenic RhoA mutant G14V complexed with GDP
8BNT 1.4 Å, The DH domain of ARHGEF2 bound to RhoA
8FPW 1.4 Å, Crystal structure of tumor related RhoA mutant A161V in complex with GDP
8GI6 1.4 Å, Crystal structure of RhoA mutant L69R complexed with GDP
6BCB 1.4 Å, A Complex between PH Domain of p114RhoGEF and Activated RhoA Bound to a GTP Analog
7G82 1.41 Å, ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1079512010
5C2K 1.42 Å, Crystal structure of the fusion protein linked by RhoA and the GAP domain of MgcRacGAP

Browse structure collections

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