MolNFT v1 · #44995 · protein
Protein phosphorylation upon a fleeting encounter
2MP0 · Phosphoenolpyruvate-protein phosphotransferase: “Protein phosphorylation upon a fleeting encounter”. Solution nmr, 1 ligand (PO3), 5 pockets (best druggability 0.81). MolNFT v1 #44995 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2MP0
- Type
- protein
- Length
- 398 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate-protein phosphotransferase; Glucose-specific phosphotransferase…
- EC
- 2.7.3.9, 2.7.1.-
- UniProt
- P08839, P69783
- Ligands
- PO3
- Pockets
- 5 · best druggability 0.81
Structure
solution nmr · 2 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoenolpyruvate-protein phosphotransferase (EC 2.7.3.9) | protein | 249 | 51% helix, 12% strand | P08839 |
| B | Glucose-specific phosphotransferase enzyme iia component (EC 2.7.1.-) | protein | 149 | 14% helix, 42% strand | P69783 |
Ligands and binding sites
- PO3 · Phosphite ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 663 | 0.81 | 0.86 | 66 | PO3 |
| 2 | 328 | 0.66 | 0.81 | 44 | empty |
| 3 | 55 | 0.35 | 0.79 | 17 | empty |
| 4 | 50 | 0.34 | 0.79 | 15 | empty |
| 5 | 55 | 0.29 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 755 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2MP0 · Protein Phosphorylation upon a Fleeting Encounter · the same entry in another collection · chain A against A, TM-score 1.00
- P69783 · AlphaFold monomer V2.0 prediction for pts system glucose-specific eiia component (P69783) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P08839 · AlphaFold monomer V2.0 prediction for phosphoenolpyruvate-protein phosphotransferase… · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P08839
- Every structure of UniProt P69783
- Elsewhere: RCSB PDB 2MP0 · PDBe 2MP0 · UniProt P08839 · UniProt P69783
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