Research workbench
Novel binding motif and new flexibility revealed by structural analysis of a pyruvate dehydrogenase-dihydrolipoyl acetyltransferase sub-complex from the escherichia COLI pyruvate dehydrogenase multi- enzyme complex
Analyse Novel binding motif and new flexibility revealed by structural analysis of a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QOY
- Type
- protein
- Length
- 3,521 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyruvate dehydrogenase E1 component; Pyruvate dehydrogenase (dihydrolipoyltransacetylase…
- EC
- 1.2.4.1
- UniProt
- C6UVU8, Q8X966
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 5 distinct chains · 45% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pyruvate dehydrogenase E1 component (EC 1.2.4.1) | protein | 862 | 45% helix, 11% strand | C6UVU8 |
| B | Pyruvate dehydrogenase E1 component (EC 1.2.4.1) | protein | 854 | 45% helix, 11% strand | C6UVU8 |
| C | Pyruvate dehydrogenase E1 component (EC 1.2.4.1) | protein | 864 | 45% helix, 11% strand | C6UVU8 |
| D | Pyruvate dehydrogenase E1 component (EC 1.2.4.1) | protein | 849 | 46% helix, 11% strand | C6UVU8 |
| E, F | Pyruvate dehydrogenase (dihydrolipoyltransacetylase component) | protein | 46 | 48% helix, 4% strand | Q8X966 |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 759 | 0.79 | 0.83 | 96 | empty |
| 2 | 983 | 0.78 | 0.80 | 96 | empty |
| 3 | 741 | 0.78 | 0.83 | 84 | empty |
| 4 | 1147 | 0.77 | 0.80 | 116 | empty |
| 5 | 650 | 0.77 | 0.83 | 83 | empty |
Interfaces
7 interfaces between chains.
- A–B · 7871 Ų buried · 127 hydrogen bonds · protein-protein
- C–D · 7753 Ų buried · 123 hydrogen bonds · protein-protein
- C–F · 521 Ų buried · 7 hydrogen bonds · protein-protein
- A–E · 516 Ų buried · 8 hydrogen bonds · protein-protein
- D–F · 434 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4QOY · Novel binding motif and new flexibility revealed by structural analysis of a pyruvate… · 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 C6UVU8
- Every structure of UniProt Q8X966
- Elsewhere: RCSB PDB 4QOY · PDBe 4QOY · UniProt C6UVU8 · UniProt Q8X966
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.