MolNFT v1 · #161154 · protein
Crystal structure of the ferric enterobactin receptor from pseudomonas aeruginosa (pfea) in complex with enterobactin
6Q5E: “Crystal structure of the ferric enterobactin receptor from pseudomonas aeruginosa (pfea) in complex with…”. X-ray diffraction, 3 ligands (EB4, LP5, FE), 10 pockets (best druggability 0.86). MolNFT v1 #161154 on GenesisL1: 3D…
- PDB
- 6Q5E
- Type
- protein
- Length
- 698 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferric enterobactin receptor
- UniProt
- Q05098
- Ligands
- EB4, LP5, FE
- Pockets
- 10 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferric enterobactin receptor | protein | 698 | 7% helix, 54% strand | Q05098 |
Ligands and binding sites
- EB4 · N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) · ligand · chains A
- LP5 · (R)-((2R,3S,4R,5R,6R)-3-hydroxy-2-(hydroxymethyl)-5-((R)-3-hydroxytetradecanamido)-6-(phosphonooxy) tetrahydro-2H-pyran-4-yl) 3-hydroxytetradecanoate · ligand · chains A
- FE · Fe (III) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 489 | 0.86 | 0.93 | 51 | empty |
| 2 | 152 | 0.79 | 0.96 | 26 | empty |
| 3 | 725 | 0.75 | 0.81 | 98 | empty |
| 4 | 81 | 0.75 | 0.98 | 32 | empty |
| 5 | 192 | 0.72 | 0.89 | 29 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6Q5E · Crystal structure of the ferric enterobactin receptor from Pseudomonas aeruginosa (PfeA)… · the same entry in another collection · chain A against A, TM-score 1.00
- Q05098 · AlphaFold monomer V2.0 prediction for ferric enterobactin receptor (Q05098) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q05098
- Elsewhere: RCSB PDB 6Q5E · PDBe 6Q5E · UniProt Q05098
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