MolNFT v1 · #36866 · protein
The crystal structure of the fdhe protein from pseudomonas aeruginosa
2FIY · Protein fdhe homolog: “The crystal structure of the fdhe protein from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (FE), 12 pockets (best druggability 0.63). MolNFT v1 #36866 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2FIY
- Type
- protein
- Length
- 566 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein fdhe homolog
- UniProt
- Q9HV00
- Ligands
- FE
- Pockets
- 12 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein fdhe homolog | protein | 285 | 41% helix, 13% strand | Q9HV00 |
| B | Protein fdhe homolog | protein | 281 | 43% helix, 12% strand | Q9HV00 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 436 | 0.63 | 0.77 | 42 | empty |
| 2 | 155 | 0.55 | 0.81 | 22 | empty |
| 3 | 124 | 0.54 | 0.83 | 22 | empty |
| 4 | 174 | 0.54 | 0.80 | 21 | empty |
| 5 | 58 | 0.51 | 0.87 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 170 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2FIY · The crystal structure of the FdhE protein from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HV00 · AlphaFold monomer V2.0 prediction for protein fdhe homolog (Q9HV00) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9HV00
- Elsewhere: RCSB PDB 2FIY · PDBe 2FIY · UniProt Q9HV00
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