MolNFT v1 · #89647 · protein
Crystal structure of E. histolytica FORMIN1 bound to EHRHO1-gtpgammas
4DVG · Rho-like small GTPase: “Crystal structure of E. histolytica FORMIN1 bound to EHRHO1-gtpgammas”. X-ray diffraction, 2 ligands (GSP, MG), 5 pockets (best druggability 0.67). MolNFT v1 #89647 on GenesisL1: 3D structure, binding sites…
- PDB
- 4DVG
- Type
- protein
- Length
- 469 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rho-like small GTPase; Diaphanous protein
- EC
- 3.6.5.2
- UniProt
- Q95TD4, C4M622
- Ligands
- GSP, MG
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rho-like small GTPase (EC 3.6.5.2) | protein | 164 | 35% helix, 28% strand | Q95TD4 |
| B | Diaphanous protein | protein | 305 | 73% helix, 1% strand | C4M622 |
Ligands and binding sites
- GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 301 | 0.67 | 0.82 | 38 | empty |
| 2 | 154 | 0.51 | 0.79 | 38 | GSP, MG |
| 3 | 170 | 0.51 | 0.78 | 23 | empty |
| 4 | 114 | 0.37 | 0.74 | 26 | empty |
| 5 | 51 | 0.22 | 0.72 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 1149 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 modified (engineered).
Compared structures
- 4DVG · Crystal structure of E. histolytica Formin1 bound to EhRho1-GTPgammaS · the same entry in another collection · chain A against A, TM-score 1.00
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 Q95TD4
- Every structure of UniProt C4M622
- Elsewhere: RCSB PDB 4DVG · PDBe 4DVG · UniProt Q95TD4 · UniProt C4M622
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