MolNFT v1 · #88607 · protein
The crystallographic structure of flavorubredoxin from escherichia COLI
4D02 · Anaerobic nitric oxide reductase flavorubredoxin: “The crystallographic structure of flavorubredoxin from escherichia COLI”. X-ray diffraction, 5 ligands (FMN, FE, PO4), 3 pockets (best druggability 0.37). MolNFT v1 #88607 on…
- PDB
- 4D02
- Type
- protein
- Length
- 399 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anaerobic nitric oxide reductase flavorubredoxin
- UniProt
- Q46877
- Ligands
- FMN, FE, PO4, CL, O
- Pockets
- 3 · best druggability 0.37
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anaerobic nitric oxide reductase flavorubredoxin | protein | 399 | 38% helix, 25% strand | Q46877 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- FE · Fe (III) ion · metal · 2 copies · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- O · Oxygen atom · ion · chains A
- GOL · Glycerol · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 57 | 0.37 | 0.79 | 18 | FMN |
| 2 | 75 | 0.33 | 0.75 | 13 | CL, GOL |
| 3 | 67 | 0.31 | 0.74 | 15 | empty |
Compared structures
- 4D02 · The crystallographic structure of Flavorubredoxin from Escherichia coli · the same entry in another collection · chain A against A, TM-score 1.00
- Q46877 · AlphaFold monomer V2.0 prediction for anaerobic nitric oxide reductase flavorubredoxin… · a predicted model of the same protein · 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 Q46877
- Elsewhere: RCSB PDB 4D02 · PDBe 4D02 · UniProt Q46877
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