MolNFT v1 · #117304 · protein
Crystal structure of holo-fnr of a. fischeri
5E44 · Fnr regulator: “Crystal structure of holo-fnr of a. fischeri”. X-ray diffraction, 1 ligand (SF4), 3 pockets (best druggability 0.70). MolNFT v1 #117304 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5E44
- Type
- protein
- Length
- 230 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fnr regulator
- UniProt
- Q70ET4
- Ligands
- SF4
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fnr regulator | protein | 230 | 42% helix, 24% strand | Q70ET4 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 138 | 0.70 | 0.90 | 31 | SF4 |
| 2 | 453 | 0.68 | 0.80 | 47 | MPD |
| 3 | 87 | 0.38 | 0.76 | 18 | empty |
Compared structures
- 5E44 · Crystal structure of holo-FNR of A. fischeri · 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 Q70ET4
- Elsewhere: RCSB PDB 5E44 · PDBe 5E44 · UniProt Q70ET4
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