Research workbench
Crystal structure of the ferric enterobactin receptor (pfea) from pseudomonas aeruginosa in complex with azotochelin
Analyse Crystal structure of the ferric enterobactin receptor (pfea) from pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5NR2
- Type
- protein
- Length
- 697 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferric enterobactin receptor
- UniProt
- Q05098
- Ligands
- 95B, FE
- Pockets
- 9 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferric enterobactin receptor | protein | 697 | 6% helix, 54% strand | Q05098 |
Ligands and binding sites
- 95B · Azotochelin · ligand · chains A
- FE · Fe (III) ion · metal · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 466 | 0.85 | 0.93 | 44 | empty |
| 2 | 179 | 0.79 | 0.95 | 38 | empty |
| 3 | 650 | 0.76 | 0.82 | 87 | empty |
| 4 | 81 | 0.74 | 0.97 | 36 | empty |
| 5 | 196 | 0.69 | 0.87 | 23 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5NR2 · Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa… · 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 5NR2 · PDBe 5NR2 · UniProt Q05098
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