Research workbench
1.95 ångström crystal structure of a bifunctional 3-deoxy-7- phosphoheptulonate SYNTHASE/CHORISMATE mutase (aroa) from listeria monocytogenes egd-E in complex with phosphoenolpyruvate
Analyse 1.95 ångström crystal structure of a bifunctional 3-deoxy-7- phosphoheptulonate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TFC
- Type
- protein
- Length
- 673 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase
- UniProt
- Q8Y6T2
- Ligands
- PEP, MN, CL
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase | protein | 343 | 45% helix, 14% strand | Q8Y6T2 |
| B | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase | protein | 330 | 44% helix, 15% strand | Q8Y6T2 |
Ligands and binding sites
- PEP · Phosphoenolpyruvate · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · 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 | 281 | 0.68 | 0.83 | 26 | empty |
| 2 | 162 | 0.59 | 0.83 | 28 | PEP, CL |
| 3 | 165 | 0.57 | 0.82 | 27 | PEP, CL |
Interfaces
1 interface between chains.
- A–B · 2337 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3TFC · 1.95 Angstrom crystal structure of a bifunctional 3-deoxy-7-phosphoheptulonate… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q8Y6T2
- Elsewhere: RCSB PDB 3TFC · PDBe 3TFC · UniProt Q8Y6T2
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