Research workbench
The crystal structure of fbia from mycobacterium smegmatis, apo state
Analyse The crystal structure of fbia from mycobacterium smegmatis, apo state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6UVX
- Type
- protein
- Length
- 645 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate transferase
- EC
- 2.7.8.28
- UniProt
- A0QTG2
- Ligands
- CA
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Phosphoenolpyruvate transferase (EC 2.7.8.28) | protein | 323 | 39% helix, 20% strand | A0QTG2 |
| A | Phosphoenolpyruvate transferase (EC 2.7.8.28) | protein | 322 | 40% helix, 20% strand | A0QTG2 |
Ligands and binding sites
- CA · Calcium ion · metal · 3 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 547 | 0.70 | 0.79 | 47 | empty |
| 2 | 522 | 0.66 | 0.77 | 67 | empty |
| 3 | 55 | 0.35 | 0.78 | 13 | empty |
| 4 | 66 | 0.34 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- B–A · 1213 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6UVX · The crystal structure of FbiA from Mycobacterium Smegmatis, Apo state · the same entry in another collection · chain B against B, TM-score 1.00
- A0QTG2 · AlphaFold monomer V2.0 prediction for phosphoenolpyruvate transferase (A0QTG2) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 A0QTG2
- Elsewhere: RCSB PDB 6UVX · PDBe 6UVX · UniProt A0QTG2
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