MolNFT v1 · #143196 · protein
E. COLI phosphoenolpyruvate carboxykinase G209S mutant bound to methanesulfonate
6ASI · Phosphoenolpyruvate carboxykinase (ATP): “E. COLI phosphoenolpyruvate carboxykinase G209S mutant bound to methanesulfonate”. X-ray diffraction, 4 ligands (ATP, 03S, MG), 3 pockets (best druggability 0.67). MolNFT v1 #143196 on…
- PDB
- 6ASI
- Type
- protein
- Length
- 529 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate carboxykinase (ATP)
- EC
- 4.1.1.49
- UniProt
- P22259
- Ligands
- ATP, 03S, MG, MN
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoenolpyruvate carboxykinase (ATP) (EC 4.1.1.49) | protein | 529 | 31% helix, 24% strand | P22259 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- 03S · methanesulfonic acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
- MN · Manganese (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 468 | 0.67 | 0.79 | 57 | ATP, MG, MN, 03S |
| 2 | 110 | 0.40 | 0.76 | 19 | empty |
| 3 | 67 | 0.31 | 0.74 | 18 | empty |
Compared structures
- 6ASI · E. coli phosphoenolpyruvate carboxykinase G209S mutant bound to methanesulfonate · the same entry in another collection · chain A against A, TM-score 1.00
- P22259 · AlphaFold monomer V2.0 prediction for phosphoenolpyruvate carboxykinase (ATP) (P22259) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P22259
- Elsewhere: RCSB PDB 6ASI · PDBe 6ASI · UniProt P22259
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