Research workbench
Crystal structure of enzyme I of the PHOSPHOENOLPYRUVATE:SUGAR phosphotransferase system in the dephosphorylated state
Analyse Crystal structure of enzyme I of the PHOSPHOENOLPYRUVATE:SUGAR… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WQD
- Type
- protein
- Length
- 570 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate-protein phosphotransferase
- UniProt
- P51183
- Ligands
- CA
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoenolpyruvate-protein phosphotransferase | protein | 570 | 49% helix, 14% strand | P51183 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.70 | 0.97 | 15 | empty |
| 2 | 1122 | 0.70 | 0.75 | 87 | empty |
| 3 | 270 | 0.57 | 0.78 | 38 | empty |
| 4 | 203 | 0.55 | 0.79 | 28 | empty |
| 5 | 60 | 0.44 | 0.82 | 15 | empty |
Compared structures
- 2WQD · Crystal structure of enzyme I of the phosphoenolpyruvate:sugar phosphotransferase system… · the same entry in another collection · chain A against A, TM-score 1.00
- P51183 · AlphaFold monomer V2.0 prediction for phosphoenolpyruvate-protein phosphotransferase… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P51183
- Elsewhere: RCSB PDB 2WQD · PDBe 2WQD · UniProt P51183
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