Research workbench
Solution structure of CDC42 in complex with the GTPase binding domain of wasp
Analyse Solution structure of CDC42 in complex with the GTPase binding domain of wasp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CEE
- Type
- protein
- Length
- 238 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTP-binding rho-like protein; Wiskott-aldrich syndrome protein wasp
- UniProt
- P60953, P42768
- Ligands
- GCP, MG
- Pockets
- 4 · best druggability 0.41
Structure
solution nmr · 2 distinct chains · 29% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GTP-binding rho-like protein | protein | 179 | 35% helix, 23% strand | P60953 |
| B | Wiskott-aldrich syndrome protein wasp | protein | 59 | 12% helix, 10% strand | P42768 |
Ligands and binding sites
- GCP · Phosphomethylphosphonic acid guanylate ester · 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
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 130 | 0.41 | 0.75 | 22 | empty |
| 2 | 81 | 0.37 | 0.77 | 20 | empty |
| 3 | 68 | 0.36 | 0.77 | 22 | empty |
| 4 | 69 | 0.34 | 0.76 | 12 | GCP |
Interfaces
1 interface between chains.
- A–B · 1453 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 1CEE · Solution structure of CDC42 in complex with the GTPase binding domain of wasp · the same entry in another collection · chain B against B, TM-score 1.00
- 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 0.91
- P42768 · AlphaFold monomer V2.0 prediction for wiskott-aldrich syndrome protein (P42768) · a predicted model of the same protein · chain B against A, TM-score 0.39
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 P42768
- Elsewhere: RCSB PDB 1CEE · PDBe 1CEE · UniProt P60953 · UniProt P42768
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