Research workbench
Crystal structure of probable dihydrolipoamide acetyltransferase from listeria monocytogenes 4B F2365
Analyse Crystal structure of probable dihydrolipoamide acetyltransferase from listeria… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3MAE
- Type
- protein
- Length
- 713 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-oxoisovalerate dehydrogenase E2 component, dihydrolipoamide acetyltransferase
- EC
- 2.3.1.-
- UniProt
- Q71ZU8
- Ligands
- PO4, CL
- Pockets
- 13 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-oxoisovalerate dehydrogenase E2 component, dihydrolipoamide acetyltransferase (EC 2.3.1.-) | protein | 234 | 39% helix, 27% strand | Q71ZU8 |
| B | 2-oxoisovalerate dehydrogenase E2 component, dihydrolipoamide acetyltransferase (EC 2.3.1.-) | protein | 240 | 39% helix, 28% strand | Q71ZU8 |
| C | 2-oxoisovalerate dehydrogenase E2 component, dihydrolipoamide acetyltransferase (EC 2.3.1.-) | protein | 239 | 40% helix, 28% strand | Q71ZU8 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 11 copies · chains A, C, B
- CL · Chloride ion · ion · 9 copies · chains A, C, B
- GOL · Glycerol · additive · 8 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 612 | 0.76 | 0.82 | 67 | GOL |
| 2 | 348 | 0.71 | 0.83 | 49 | CL, GOL |
| 3 | 366 | 0.69 | 0.82 | 53 | GOL, CL |
| 4 | 155 | 0.67 | 0.87 | 40 | GOL, CL |
| 5 | 109 | 0.57 | 0.85 | 23 | CL, GOL |
Interfaces
3 interfaces between chains.
- B–C · 1799 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 1733 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1520 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 3MAE · CRYSTAL STRUCTURE OF PROBABLE DIHYDROLIPOAMIDE ACETYLTRANSFERASE FROM LISTERIA… · 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 Q71ZU8
- Elsewhere: RCSB PDB 3MAE · PDBe 3MAE · UniProt Q71ZU8
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