MolNFT v1 · #149001 · protein
Modifying region (dh-er-kr) of an insect fatty acid synthase (fas)
6FN6 · Fatty acid synthase 1, isoform a: “Modifying region (dh-er-kr) of an insect fatty acid synthase (fas)”. X-ray diffraction, 1 ligand (BR), 20 pockets (best druggability 0.78). MolNFT v1 #149001 on GenesisL1: 3D structure, binding…
- PDB
- 6FN6
- Type
- protein
- Length
- 2,182 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid synthase 1, isoform a
- EC
- 1.1.1.100, 1.3.1.10, 2.3.1.38, 2.3.1.39, 2.3.1.41, 2.3.1.85, 3.1.2.14, 4.2.1.59
- UniProt
- Q9VQL7
- Ligands
- BR
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fatty acid synthase 1, isoform a (EC 1.1.1.100, 1.3.1.10, 2.3.1.38, 2.3.1.39, 2.3.1.41, 2.3.1.85, 3.1.2.14, 4.2.1.59) | protein | 1093 | 32% helix, 29% strand | Q9VQL7 |
| B | Fatty acid synthase 1, isoform a (EC 1.1.1.100, 1.3.1.10, 2.3.1.38, 2.3.1.39, 2.3.1.41, 2.3.1.85, 3.1.2.14, 4.2.1.59) | protein | 1089 | 34% helix, 29% strand | Q9VQL7 |
Ligands and binding sites
- BR · Bromide ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 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, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 572 | 0.78 | 0.84 | 61 | empty |
| 2 | 1029 | 0.78 | 0.80 | 109 | BR |
| 3 | 780 | 0.77 | 0.81 | 67 | empty |
| 4 | 398 | 0.73 | 0.84 | 55 | empty |
| 5 | 321 | 0.73 | 0.85 | 41 | empty |
Interfaces
1 interface between chains.
- A–B · 2326 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
- 6FN6 · Modifying region (DH-ER-KR) of an insect fatty acid synthase (FAS) · 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 Q9VQL7
- Elsewhere: RCSB PDB 6FN6 · PDBe 6FN6 · UniProt Q9VQL7
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