MolNFT v1 · #107364 · protein
Structure of brucella abortus butyryl-CoA dehydrogenase
4U83 · Acyl-CoA dehydrogenase: “Structure of brucella abortus butyryl-CoA dehydrogenase”. X-ray diffraction, 14 pockets (best druggability 0.82). MolNFT v1 #107364 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4U83
- Type
- protein
- Length
- 1,473 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-CoA dehydrogenase
- EC
- 1.3.99.2
- UniProt
- G8T5D9
- Pockets
- 14 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 59% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-CoA dehydrogenase (EC 1.3.99.2) | protein | 371 | 58% helix, 15% strand | G8T5D9 |
| B | Acyl-CoA dehydrogenase (EC 1.3.99.2) | protein | 370 | 59% helix, 15% strand | G8T5D9 |
| C | Acyl-CoA dehydrogenase (EC 1.3.99.2) | protein | 369 | 59% helix, 15% strand | G8T5D9 |
| D | Acyl-CoA dehydrogenase (EC 1.3.99.2) | protein | 363 | 59% helix, 16% strand | G8T5D9 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 8 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1118 | 0.82 | 0.83 | 119 | empty |
| 2 | 819 | 0.73 | 0.78 | 88 | EDO |
| 3 | 743 | 0.73 | 0.79 | 79 | EDO |
| 4 | 398 | 0.70 | 0.81 | 41 | empty |
| 5 | 417 | 0.70 | 0.81 | 47 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1510 Ų buried · 35 hydrogen bonds · protein-protein
- A–B · 1480 Ų buried · 33 hydrogen bonds · protein-protein
- A–C · 567 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 27 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 23 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4U83 · Structure of Brucella Abortus Butyryl-CoA dehydrogenase · 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 G8T5D9
- Elsewhere: RCSB PDB 4U83 · PDBe 4U83 · UniProt G8T5D9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.