Research workbench
Crystal structure of human rhoa in complex with DH/PH fragment of the guanine nucleotide exchange factor NET1
Analyse Crystal structure of human rhoa in complex with DH/PH fragment of the guanine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XH9
- Type
- protein
- Length
- 1,022 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuroepithelial cell-transforming gene 1 protein; Transforming protein rhoa
- UniProt
- Q7Z628, P61586
- Pockets
- 12 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 53% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neuroepithelial cell-transforming gene 1 protein | protein | 336 | 57% helix, 15% strand | Q7Z628 |
| B, E | Transforming protein rhoa | protein | 174 | 37% helix, 24% strand | P61586 |
| D | Neuroepithelial cell-transforming gene 1 protein | protein | 338 | 57% helix, 15% strand | Q7Z628 |
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 581 | 0.68 | 0.77 | 51 | empty |
| 2 | 569 | 0.67 | 0.77 | 49 | empty |
| 3 | 234 | 0.66 | 0.83 | 27 | empty |
| 4 | 256 | 0.66 | 0.83 | 26 | empty |
| 5 | 251 | 0.57 | 0.78 | 29 | empty |
Interfaces
5 interfaces between chains.
- D–E · 1969 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 1938 Ų buried · 17 hydrogen bonds · protein-protein
- B–E · 183 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 89 Ų buried · 1 hydrogen bond · protein-protein
- A–E · 87 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4XH9 · Crystal structure of human rhoa in complex with DH/PH fragment of the guanine nucleotide… · the same entry in another collection · chain A against A, TM-score 1.00
- Q7Z628 · AlphaFold monomer V2.0 prediction for neuroepithelial cell- transforming gene 1 protein… · a predicted model of the same protein · chain D against A, TM-score 0.98
- P61586 · AlphaFold monomer V2.0 prediction for transforming protein rhoa (P61586) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 Q7Z628
- Every structure of UniProt P61586
- Elsewhere: RCSB PDB 4XH9 · PDBe 4XH9 · UniProt Q7Z628 · UniProt P61586
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