MolNFT v2 · #3040 · protein
CDC42/ACK GTPase-binding domain complex
1CF4 · Protein (CDC42 homolog): “CDC42/ACK GTPase-binding domain complex”. Solution nmr at NOT, 2 ligands (GNP, MG), 5 pockets (best druggability 0.71). MolNFT v2 #3040 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1CF4
- Type
- protein
- Length
- 228 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- NOT
- Source
- Homo sapiens
- Molecule
- Protein (CDC42 homolog); Protein (activated P21CDC42HS kinase)
- UniProt
- P60953, Q07912
- Ligands
- GNP, MG
- Pockets
- 5 · best druggability 0.71
Structure
solution nmr · resolution NOT · 2 distinct chains · 26% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (CDC42 homolog) | protein | 184 | 32% helix, 2% strand | P60953 |
| B | Protein (activated P21CDC42HS kinase) | protein | 44 | 0% helix, 0% strand | Q07912 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A, B
- 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 | 131 | 0.71 | 0.91 | 34 | MG, GNP |
| 2 | 90 | 0.70 | 0.93 | 27 | empty |
| 3 | 163 | 0.60 | 0.83 | 30 | empty |
| 4 | 51 | 0.38 | 0.81 | 11 | empty |
| 5 | 82 | 0.37 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2135 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 1CF4 · CDC42/ACK GTPase-binding domain complex · the same entry in another collection · chain A against A, 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 0.69
- Q07912 · AlphaFold monomer V2.0 prediction for activated CDC42 kinase 1 (Q07912) · a predicted model of the same protein · chain B against A, TM-score 0.29
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 Q07912
- Elsewhere: RCSB PDB 1CF4 · PDBe 1CF4 · UniProt P60953 · UniProt Q07912
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