MolNFT v1 · #89737 · protein
High resolution structure of E.COLI wrba with FMN
4DY4 · Flavoprotein wrba: “High resolution structure of E.COLI wrba with FMN”. X-ray diffraction, 1 ligand (FMN), 2 pockets (best druggability 0.62). MolNFT v1 #89737 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4DY4
- Type
- protein
- Length
- 374 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavoprotein wrba
- UniProt
- A1A9Q9
- Ligands
- FMN
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Flavoprotein wrba | protein | 194 | 40% helix, 17% strand | A1A9Q9 |
| C | Flavoprotein wrba | protein | 180 | 41% helix, 19% strand | A1A9Q9 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, C
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 373 | 0.62 | 0.78 | 38 | FMN |
| 2 | 347 | 0.59 | 0.77 | 41 | PEG, FMN |
Interfaces
1 interface between chains.
- A–C · 892 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
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 A1A9Q9
- Elsewhere: RCSB PDB 4DY4 · PDBe 4DY4 · UniProt A1A9Q9
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