Research workbench
Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase
Analyse Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4W82
- Type
- protein
- Length
- 611 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid synthase
- EC
- 1.3.1.39
- UniProt
- P49327
- Ligands
- MG, NA, CL
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty acid synthase (EC 1.3.1.39) | protein | 306 | 35% helix, 26% strand | P49327 |
| B | Fatty acid synthase (EC 1.3.1.39) | protein | 305 | 37% helix, 27% strand | P49327 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- NA · Sodium ion · metal · chains B
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 576 | 0.70 | 0.78 | 46 | empty |
| 2 | 519 | 0.67 | 0.78 | 46 | CL |
| 3 | 322 | 0.57 | 0.77 | 33 | empty |
| 4 | 106 | 0.39 | 0.75 | 22 | empty |
| 5 | 64 | 0.35 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 783 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 4W82 · Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase · the same entry in another collection · chain A against A, TM-score 1.00
- P49327 · AlphaFold monomer V2.0 prediction for fatty acid synthase (P49327) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P49327
- Elsewhere: RCSB PDB 4W82 · PDBe 4W82 · UniProt P49327
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