Research workbench
Complex of the amino terminal domain of enzyme I and the histidine- containing phosphocarrier protein hpr from escherichia COLI NMR, restrained regularized mean structure
Analyse Complex of the amino terminal domain of enzyme I and the histidine- containing… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EZE
- Type
- protein
- Length
- 334 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (phosphotransferase system, enzyme I); Protein (phosphotransferase system, hpr)
- EC
- 2.7.3.9
- UniProt
- P08839, P0AA04
- Ligands
- PO3
- Pockets
- 3 · best druggability 0.66
Structure
solution nmr · 2 distinct chains · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (phosphotransferase system, enzyme I) (EC 2.7.3.9) | protein | 249 | 55% helix, 12% strand | P08839 |
| B | Protein (phosphotransferase system, hpr) | protein | 85 | 35% helix, 27% strand | P0AA04 |
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
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.66 | 0.95 | 21 | empty |
| 2 | 210 | 0.63 | 0.83 | 33 | empty |
| 3 | 308 | 0.57 | 0.77 | 43 | PO3 |
Interfaces
1 interface between chains.
- A–B · 1085 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3EZE · Complex of the amino terminal domain of enzyme I and the histidine-containing… · the same entry in another collection · chain A against A, TM-score 1.00
- P0AA04 · AlphaFold monomer V2.0 prediction for phosphocarrier protein hpr (P0AA04) · a predicted model of the same protein · chain B 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 0.92
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 P0AA04
- Elsewhere: RCSB PDB 3EZE · PDBe 3EZE · UniProt P08839 · UniProt P0AA04
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