MolNFT v1 · #50577 · protein
RAC1/PRK1 complex
2RMK · RAS-related C3 botulinum toxin substrate 1: “RAC1/PRK1 complex”. Solution nmr, 2 ligands (GCP, MG), 4 pockets (best druggability 0.62). MolNFT v1 #50577 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2RMK
- Type
- protein
- Length
- 273 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RAS-related C3 botulinum toxin substrate 1; SERINE/THREONINE-protein kinase N1
- EC
- 2.7.11.13
- UniProt
- P63000, Q16512
- Ligands
- GCP, MG
- Pockets
- 4 · best druggability 0.62
Structure
solution nmr · 2 distinct chains · 48% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RAS-related C3 botulinum toxin substrate 1 | protein | 192 | 35% helix, 20% strand | P63000 |
| B | SERINE/THREONINE-protein kinase N1 (EC 2.7.11.13) | protein | 81 | 78% helix, 0% strand | Q16512 |
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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 264 | 0.62 | 0.80 | 29 | empty |
| 2 | 128 | 0.48 | 0.79 | 23 | empty |
| 3 | 80 | 0.46 | 0.81 | 23 | empty |
| 4 | 155 | 0.44 | 0.75 | 27 | MG, GCP |
Interfaces
1 interface between chains.
- A–B · 1093 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2RMK · Rac1/PRK1 Complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q16512 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase N1 (Q16512) · a predicted model of the same protein · chain B against A, TM-score 0.84
- P63000 · AlphaFold monomer V2.0 prediction for RAS-related C3 botulinum toxin substrate 1 (P63000) · a predicted model of the same protein · chain A against A, TM-score 0.81
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 P63000
- Every structure of UniProt Q16512
- Elsewhere: RCSB PDB 2RMK · PDBe 2RMK · UniProt P63000 · UniProt Q16512
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