MolNFT v1 · #50091 · protein
Pyruvate phosphate dikinase (ppdk) triple mutant R219E/E271R/S262D adapts a second conformational state
2R82 · Pyruvate, phosphate dikinase: “Pyruvate phosphate dikinase (ppdk) triple mutant R219E/E271R/S262D adapts a second conformational state”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.80). MolNFT v1 #50091 on…
- PDB
- 2R82
- Type
- protein
- Length
- 872 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyruvate, phosphate dikinase
- EC
- 2.7.9.1
- UniProt
- P22983
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pyruvate, phosphate dikinase (EC 2.7.9.1) | protein | 872 | 50% helix, 17% strand | P22983 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1111 | 0.80 | 0.81 | 98 | SO4 |
| 2 | 437 | 0.62 | 0.77 | 49 | empty |
| 3 | 90 | 0.51 | 0.83 | 22 | empty |
| 4 | 124 | 0.50 | 0.80 | 28 | empty |
| 5 | 213 | 0.49 | 0.75 | 36 | empty |
Compared structures
- 2R82 · Pyruvate phosphate dikinase (PPDK) triple mutant R219E/E271R/S262D adapts a second… · the same entry in another collection · chain A against A, TM-score 1.00
- P22983 · AlphaFold monomer V2.0 prediction for pyruvate, phosphate dikinase (P22983) · a predicted model of the same protein · chain A against A, TM-score 0.72
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 P22983
- Elsewhere: RCSB PDB 2R82 · PDBe 2R82 · UniProt P22983
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