MolNFT v1 · #23336 · protein
RHO/RHOGAP/GDP(DOT)ALF4 complex
1TX4 · P50-rhogap: “RHO/RHOGAP/GDP(DOT)ALF4 complex”. X-ray diffraction, 3 ligands (ALF, GDP, MG), 2 pockets (best druggability 0.66). MolNFT v1 #23336 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1TX4
- Type
- protein
- Length
- 370 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P50-rhogap; Transforming protein rhoa
- UniProt
- Q07960, P61586
- Ligands
- ALF, GDP, MG
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | P50-rhogap | protein | 196 | 66% helix, 0% strand | Q07960 |
| B | Transforming protein rhoa | protein | 174 | 40% helix, 26% strand | P61586 |
Ligands and binding sites
- ALF · Tetrafluoroaluminate ion · ligand · chains A, B
- GDP · Guanosine-5'-diphosphate · ligand · chains A, B
- MG · Magnesium ion · metal · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 370 | 0.66 | 0.80 | 58 | MG, ALF, GDP |
| 2 | 168 | 0.47 | 0.76 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1208 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 1TX4 · RHO/RHOGAP/GDP(DOT)ALF4 complex · the same entry in another collection · chain A against A, TM-score 1.00
- P61586 · AlphaFold monomer V2.0 prediction for transforming protein rhoa (P61586) · a predicted model of the same protein · chain B against A, TM-score 0.99
- Q07960 · AlphaFold monomer V2.0 prediction for rho GTPase-activating protein 1 (Q07960) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q07960
- Every structure of UniProt P61586
- Elsewhere: RCSB PDB 1TX4 · PDBe 1TX4 · UniProt Q07960 · UniProt P61586
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