MolNFT v1 · #128466 · protein
Crystal structure of the ferric enterobactin receptor (pfea) from pseudomonas aeruginosa in complex with azotochelin
5NR2: “Crystal structure of the ferric enterobactin receptor (pfea) from pseudomonas aeruginosa in complex with…”. X-ray diffraction, 2 ligands (95B, FE), 9 pockets (best druggability 0.85). MolNFT v1 #128466 on GenesisL1: 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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