Research workbench
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV
Analyse Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6Z33
- Type
- protein
- Length
- 698 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.711
- Source
- Pseudomonas aeruginosa PAO1
- Molecule
- Ferric enterobactin receptor
- UniProt
- Q05098
- Ligands
- Q62, FE
- Pockets
- 11 · best druggability 0.86
Structure
x-ray diffraction · resolution 2.711 · 1 distinct chain · 7% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| AAA | Ferric enterobactin receptor | protein | 698 | 7% helix, 53% strand | Q05098 |
Ligands and binding sites
- Q62 · ~{N}-[(5~{S})-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-6-(prop-2-ynylamino)hexyl]-2,3-bis(oxidanyl)benzamide · ligand · chains AAA
- FE · Fe (III) ion · metal · chains AAA
- EDO · 1,2-ethanediol · additive · chains AAA
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 474 | 0.86 | 0.93 | 51 | empty |
| 2 | 173 | 0.79 | 0.95 | 35 | empty |
| 3 | 616 | 0.75 | 0.82 | 82 | empty |
| 4 | 72 | 0.73 | 0.98 | 28 | empty |
| 5 | 59 | 0.72 | 0.99 | 20 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- Q05098 · AlphaFold monomer V2.0 prediction for ferric enterobactin receptor (Q05098) · a predicted model of the same protein · chain AAA 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 6Z33 · PDBe 6Z33 · UniProt Q05098
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