MolNFT v1 · #166628 · protein
The crystal structure of fbia from mycobacterium smegmatis, GDP bound form
6UW3 · Phosphoenolpyruvate transferase: “The crystal structure of fbia from mycobacterium smegmatis, GDP bound form”. X-ray diffraction, 2 ligands (GDP, CA), 2 pockets (best druggability 0.78). MolNFT v1 #166628 on GenesisL1: 3D structure…
- PDB
- 6UW3
- Type
- protein
- Length
- 652 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
- GDP, CA
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Phosphoenolpyruvate transferase (EC 2.7.8.28) | protein | 326 | 38% helix, 21% strand | A0QTG2 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains B, A
- CA · Calcium ion · metal · 3 copies · chains B, A
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 569 | 0.78 | 0.84 | 60 | GDP, GOL, CA |
| 2 | 542 | 0.65 | 0.76 | 68 | GDP |
Interfaces
1 interface between chains.
- B–A · 1220 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6UW3 · The crystal structure of FbiA from Mycobacterium Smegmatis, GDP Bound form · 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 6UW3 · PDBe 6UW3 · UniProt A0QTG2
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