Research workbench
The crystal structure of the human RND1 GTPase in the active GTP bound state
Analyse The crystal structure of the human RND1 GTPase in the active GTP bound state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CLS
- Type
- protein
- Length
- 357 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rho-related GTP-binding protein RHO6
- UniProt
- Q92730
- Ligands
- GTP, MG
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rho-related GTP-binding protein RHO6 | protein | 179 | 38% helix, 25% strand | Q92730 |
| B | Rho-related GTP-binding protein RHO6 | protein | 178 | 40% helix, 25% strand | Q92730 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 201 | 0.60 | 0.82 | 37 | GTP, MG |
| 2 | 175 | 0.57 | 0.81 | 36 | GTP, MG |
Interfaces
1 interface between chains.
- A–B · 556 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2CLS · The crystal structure of the human RND1 GTPase in the active GTP bound state · the same entry in another collection · chain B against B, TM-score 1.00
- Q92730 · AlphaFold monomer V2.0 prediction for rho-related GTP-binding protein RHO6 (Q92730) · a predicted model of the same protein · chain A against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q92730
- Elsewhere: RCSB PDB 2CLS · PDBe 2CLS · UniProt Q92730
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