MolNFT v1 · #48598 · protein
Crystal structure of E. COLI phosphoenolpyruvate carboxykinase mutant LYS213SER complexed with ATP-MG2+-MN2+
2PY7: “Crystal structure of E. COLI phosphoenolpyruvate carboxykinase mutant LYS213SER complexed with ATP-MG2+-MN2+”. X-ray diffraction, 3 ligands (ATP, MN, MG), 2 pockets (best druggability 0.74). MolNFT v1 #48598 on GenesisL1: 3D…
- PDB
- 2PY7
- 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, MN, MG
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Phosphoenolpyruvate carboxykinase (EC 4.1.1.49) | protein | 535 | 32% helix, 25% strand | P22259 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains X
- MN · Manganese (II) ion · metal · 2 copies · chains X
- MG · Magnesium ion · metal · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 763 | 0.74 | 0.79 | 80 | MG, MN, ATP |
| 2 | 99 | 0.41 | 0.77 | 21 | empty |
Compared structures
- 2PY7 · Crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Lys213Ser complexed… · the same entry in another collection · chain X against X, TM-score 1.00
- P22259 · AlphaFold monomer V2.0 prediction for phosphoenolpyruvate carboxykinase (ATP) (P22259) · a predicted model of the same protein · chain X 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 2PY7 · PDBe 2PY7 · UniProt P22259
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