MolNFT v1 · #51049 · protein
Ivy desaturase structure
2UW1 · Plastid DELTA4 multifunctional acyl-acyl carrier protein…: “Ivy desaturase structure”. X-ray diffraction, 3 ligands (GVM, FE, NA), 6 pockets (best druggability 0.78). MolNFT v1 #51049 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2UW1
- Type
- protein
- Length
- 665 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Plastid DELTA4 multifunctional acyl-acyl carrier protein desaturase
- EC
- 1.14.99.6
- Ligands
- GVM, FE, NA
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Plastid DELTA4 multifunctional acyl-acyl carrier protein desaturase (EC 1.14.99.6) | protein | 327 | 70% helix, 2% strand | — |
| B | Plastid DELTA4 multifunctional acyl-acyl carrier protein desaturase (EC 1.14.99.6) | protein | 338 | 66% helix, 2% strand | — |
Ligands and binding sites
- GVM · (3R)-3-hydroxy-5,5-dimethylhexanoic acid · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 4 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 430 | 0.78 | 0.86 | 48 | GVM |
| 2 | 346 | 0.74 | 0.85 | 45 | GVM |
| 3 | 50 | 0.36 | 0.80 | 16 | empty |
| 4 | 85 | 0.34 | 0.74 | 15 | empty |
| 5 | 55 | 0.32 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 2843 Ų buried · 46 hydrogen bonds · protein-protein
Compared structures
- 2UW1 · Ivy Desaturase Structure · 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
- Elsewhere: RCSB PDB 2UW1 · PDBe 2UW1
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