MolNFT v1 · #54062 · protein
Solution structure of the enzyme I dimer complexed with hpr using residual dipolar couplings and small angle X-ray scattering
2XDF · Phosphoenolpyruvate-protein phosphotransferase: “Solution structure of the enzyme I dimer complexed with hpr using residual dipolar couplings and small angle…”. Solution nmr; solution scattering, 15 pockets (best druggability 0.75).…
- PDB
- 2XDF
- Type
- protein
- Length
- 1,316 residues
- Chains
- 4
- Method
- solution nmr; solution scattering
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate-protein phosphotransferase; Phosphocarrier protein hpr
- EC
- 2.7.3.9, 2.7.11.-
- UniProt
- P08839, P0AA06
- Pockets
- 15 · best druggability 0.75
Structure
solution nmr; solution scattering · 2 distinct chains · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phosphoenolpyruvate-protein phosphotransferase (EC 2.7.3.9) | protein | 573 | 51% helix, 12% strand | P08839 |
| C, D | Phosphocarrier protein hpr (EC 2.7.11.-) | protein | 85 | 34% helix, 27% strand | P0AA06 |
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 697 | 0.75 | 0.80 | 79 | empty |
| 2 | 660 | 0.74 | 0.80 | 83 | empty |
| 3 | 53 | 0.65 | 0.94 | 14 | empty |
| 4 | 154 | 0.63 | 0.85 | 28 | empty |
| 5 | 154 | 0.62 | 0.85 | 29 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1902 Ų buried · 33 hydrogen bonds · protein-protein
- A–C · 1058 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 1018 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2XDF · Solution Structure of the Enzyme I Dimer Complexed with HPr Using Residual Dipolar… · the same entry in another collection · chain A against A, TM-score 1.00
- P0AA06 · AlphaFold monomer V2.0 prediction for phosphocarrier protein hpr (P0AA06) · a predicted model of the same protein · chain C against A, TM-score 0.96
- P08839 · AlphaFold monomer V2.0 prediction for phosphoenolpyruvate-protein phosphotransferase… · a predicted model of the same protein · chain A against A, TM-score 0.56
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 P0AA06
- Elsewhere: RCSB PDB 2XDF · PDBe 2XDF · UniProt P08839 · UniProt P0AA06
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.