MolNFT v1 · #34059 · protein
Fatty acid beta-oxidation multienzyme complex from pseudomonas fragi, form V
2D3T · Fatty oxidation complex alpha subunit: “Fatty acid beta-oxidation multienzyme complex from pseudomonas fragi, form V”. X-ray diffraction, 2 ligands (ACO, NAD), 20 pockets (best druggability 0.77). MolNFT v1 #34059 on GenesisL1: 3D…
- PDB
- 2D3T
- Type
- protein
- Length
- 2,199 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty oxidation complex alpha subunit; 3-ketoacyl-CoA thiolase
- EC
- 4.2.1.17, 5.3.3.8, 1.1.1.35, 5.1.2.3, 2.3.1.16
- UniProt
- P28793, P28790
- Ligands
- ACO, NAD
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 51% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty oxidation complex alpha subunit (EC 4.2.1.17, 5.3.3.8, 1.1.1.35, 5.1.2.3) | protein | 708 | 55% helix, 11% strand | P28793 |
| B | Fatty oxidation complex alpha subunit (EC 4.2.1.17, 5.3.3.8, 1.1.1.35, 5.1.2.3) | protein | 711 | 54% helix, 11% strand | P28793 |
| C, D | 3-ketoacyl-CoA thiolase (EC 2.3.1.16) | protein | 390 | 38% helix, 22% strand | P28790 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 2 copies · chains C, D
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 701 | 0.77 | 0.82 | 53 | empty |
| 2 | 762 | 0.75 | 0.80 | 62 | empty |
| 3 | 54 | 0.72 | 0.99 | 17 | empty |
| 4 | 387 | 0.71 | 0.83 | 61 | empty |
| 5 | 54 | 0.71 | 0.98 | 17 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2777 Ų buried · 67 hydrogen bonds · protein-protein
- A–B · 948 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 813 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 802 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 527 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2D3T · Fatty Acid beta-oxidation multienzyme complex from Pseudomonas Fragi, Form V · the same entry in another collection · chain D against D, TM-score 1.00
- P28790 · AlphaFold monomer V2.0 prediction for 3-ketoacyl-CoA thiolase (P28790) · a predicted model of the same protein · chain D against A, TM-score 1.00
- P28793 · AlphaFold monomer V2.0 prediction for fatty acid oxidation complex subunit alpha (P28793) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P28793
- Every structure of UniProt P28790
- Elsewhere: RCSB PDB 2D3T · PDBe 2D3T · UniProt P28793 · UniProt P28790
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