MolNFT v1 · #5386 · protein
Structure of T255E, E376G mutant of human medium chain acyl- CoA dehydrogenase
1EGE · Medium chain acyl-CoA dehydrogenase: “Structure of T255E, E376G mutant of human medium chain acyl- CoA dehydrogenase”. X-ray diffraction, 1 ligand (FAD), 13 pockets (best druggability 0.84). MolNFT v1 #5386 on GenesisL1: 3D…
- PDB
- 1EGE
- Type
- protein
- Length
- 1,548 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Medium chain acyl-CoA dehydrogenase
- EC
- 1.3.99.3
- UniProt
- P11310
- Ligands
- FAD
- Pockets
- 13 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Medium chain acyl-CoA dehydrogenase (EC 1.3.99.3) | protein | 387 | 57% helix, 16% strand | P11310 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 756 | 0.84 | 0.87 | 89 | FAD |
| 2 | 740 | 0.82 | 0.86 | 80 | FAD |
| 3 | 670 | 0.82 | 0.86 | 81 | FAD |
| 4 | 730 | 0.81 | 0.84 | 79 | FAD |
| 5 | 1049 | 0.79 | 0.80 | 88 | empty |
Interfaces
6 interfaces between chains.
- B–C · 2460 Ų buried · 27 hydrogen bonds · protein-protein
- A–D · 2431 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1755 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 1711 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 188 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1EGE · Structure of T255E, E376G mutant of human medium chain acyl-CoA dehydrogenase · the same entry in another collection · chain D against D, TM-score 1.00
- P11310 · AlphaFold monomer V2.0 prediction for medium-chain specific acyl-CoA dehydrogenase… · a predicted model of the same protein · chain C 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 P11310
- Elsewhere: RCSB PDB 1EGE · PDBe 1EGE · UniProt P11310
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