MolNFT v1 · #47011 · protein
Crystal structure of escherichia COLI phosphoenolpyruvate carboxykinase complexed with carbon dioxide, MG2+, ATP
2OLR: “Crystal structure of escherichia COLI phosphoenolpyruvate carboxykinase complexed with carbon dioxide, MG2+…”. X-ray diffraction, 4 ligands (ATP, MG, CO2), 3 pockets (best druggability 0.71). MolNFT v1 #47011 on GenesisL1: 3D…
- PDB
- 2OLR
- Type
- protein
- Length
- 535 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate carboxykinase
- EC
- 4.1.1.49
- UniProt
- P22259
- Ligands
- ATP, MG, CO2, CL
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoenolpyruvate carboxykinase (EC 4.1.1.49) | protein | 535 | 32% helix, 24% strand | P22259 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CO2 · Carbon dioxide · ion · 2 copies · chains A
- CL · Chloride ion · ion · 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 | 594 | 0.71 | 0.79 | 69 | MG, CL, CO2, ATP |
| 2 | 114 | 0.47 | 0.79 | 28 | empty |
| 3 | 98 | 0.40 | 0.77 | 21 | empty |
Compared structures
- 2OLR · Crystal structure of Escherichia coli phosphoenolpyruvate carboxykinase complexed with… · 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 2OLR · PDBe 2OLR · UniProt P22259
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