Research workbench
R292D mutant of E. COLI pyruvate kinase
Analyse R292D mutant of E. COLI pyruvate kinase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1E0T
- Type
- protein
- Length
- 1,784 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyruvate kinase
- EC
- 2.7.1.40
- UniProt
- A0A0A0G552
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Pyruvate kinase (EC 2.7.1.40) | protein | 446 | 39% helix, 25% strand | A0A0A0G552 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 116 | 0.76 | 0.95 | 28 | empty |
| 2 | 101 | 0.75 | 0.96 | 26 | empty |
| 3 | 377 | 0.67 | 0.80 | 50 | empty |
| 4 | 368 | 0.66 | 0.80 | 46 | empty |
| 5 | 341 | 0.64 | 0.80 | 36 | empty |
Interfaces
4 interfaces between chains.
- B–D · 1069 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 1029 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 893 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 880 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 1E0T · R292D mutant of E. coli pyruvate kinase · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A0A0G552
- Elsewhere: RCSB PDB 1E0T · PDBe 1E0T · UniProt A0A0A0G552
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