Research workbench
Crystal structure of the CDC42/CDC42GAP/ALF3 complex.
Analyse Crystal structure of the CDC42/CDC42GAP/ALF3 complex. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1GRN
- Type
- protein
- Length
- 388 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (GTP binding protein); Protein (rho GTPase activating protein)
- UniProt
- P60953, Q07960
- Ligands
- GDP, AF3, MG
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (GTP binding protein) | protein | 191 | 38% helix, 23% strand | P60953 |
| B | Protein (rho GTPase activating protein) | protein | 197 | 64% helix, 0% strand | Q07960 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · chains A, B
- AF3 · Aluminum fluoride · 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
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 601 | 0.69 | 0.78 | 60 | MG, GDP, AF3 |
| 2 | 176 | 0.55 | 0.80 | 34 | empty |
| 3 | 91 | 0.45 | 0.80 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1223 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1GRN · Crystal structure of the CDC42/CDC42GAP/ALF3 complex. · the same entry in another collection · chain A against A, TM-score 1.00
- Q07960 · AlphaFold monomer V2.0 prediction for rho GTPase-activating protein 1 (Q07960) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P60953 · AlphaFold monomer V2.0 prediction for cell division control protein 42 homolog (P60953) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P60953
- Every structure of UniProt Q07960
- Elsewhere: RCSB PDB 1GRN · PDBe 1GRN · UniProt P60953 · UniProt Q07960
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