MolNFT v1 · #46873 · protein
Crystal structure of coenzyme F420H2 oxidase (fpra), a diiron flavoprotein, reduced state
2OHI · Type a flavoprotein fpra: “Crystal structure of coenzyme F420H2 oxidase (fpra), a diiron flavoprotein, reduced state”. X-ray diffraction, 3 ligands (FMN, FE, CL), 20 pockets (best druggability 0.81). MolNFT v1 #46873 on GenesisL1…
- PDB
- 2OHI
- Type
- protein
- Length
- 3,224 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type a flavoprotein fpra
- EC
- 1.-.-.-
- UniProt
- Q50497
- Ligands
- FMN, FE, CL
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, E, G, H, I, J | Type a flavoprotein fpra (EC 1.-.-.-) | protein | 403 | 38% helix, 24% strand | Q50497 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 8 copies · chains A, B, D, E, G, H, I, J
- FE · Fe (III) ion · metal · 16 copies · chains A, B, D, E, G, H, I, J
- CL · Chloride ion · ion · 4 copies · chains D, H, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 363 | 0.81 | 0.90 | 57 | FMN |
| 2 | 984 | 0.81 | 0.82 | 66 | empty |
| 3 | 426 | 0.80 | 0.88 | 56 | FMN |
| 4 | 1143 | 0.80 | 0.81 | 72 | empty |
| 5 | 338 | 0.80 | 0.90 | 51 | FMN, FE |
Interfaces
12 interfaces between chains.
- A–B · 2010 Ų buried · 26 hydrogen bonds · protein-protein
- G–H · 1977 Ų buried · 24 hydrogen bonds · protein-protein
- D–E · 1975 Ų buried · 22 hydrogen bonds · protein-protein
- I–J · 1933 Ų buried · 22 hydrogen bonds · protein-protein
- G–I · 1526 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 2OHI · Crystal Structure of coenzyme F420H2 oxidase (FprA), a diiron flavoprotein, reduced state · the same entry in another collection · chain J against J, TM-score 1.00
- Q50497 · AlphaFold monomer V2.0 prediction for type a flavoprotein fpra (Q50497) · a predicted model of the same protein · chain G 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 Q50497
- Elsewhere: RCSB PDB 2OHI · PDBe 2OHI · UniProt Q50497
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