MolNFT v1 · #150042 · protein
Crystal structure of the ferric enterobactin esterase (pfee) from pseudomonas aeruginosa
6GI0: “Crystal structure of the ferric enterobactin esterase (pfee) from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (NO3), 6 pockets (best druggability 0.70). MolNFT v1 #150042 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6GI0
- Type
- protein
- Length
- 517 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferric enterobactin esterase
- UniProt
- Q9I0F2
- Ligands
- NO3
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferric enterobactin esterase | protein | 259 | 33% helix, 26% strand | Q9I0F2 |
| B | Ferric enterobactin esterase | protein | 258 | 33% helix, 26% strand | Q9I0F2 |
Ligands and binding sites
- NO3 · Nitrate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 278 | 0.70 | 0.85 | 46 | empty |
| 2 | 255 | 0.63 | 0.81 | 43 | empty |
| 3 | 164 | 0.49 | 0.78 | 29 | empty |
| 4 | 119 | 0.43 | 0.77 | 17 | empty |
| 5 | 108 | 0.37 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 885 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 6GI0 · Crystal structure of the ferric enterobactin esterase (PfeE) from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I0F2 · AlphaFold monomer V2.0 prediction for IRON(III) enterobactin esterase (Q9I0F2) · a predicted model of the same protein · chain B against A, TM-score 1.00
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 Q9I0F2
- Elsewhere: RCSB PDB 6GI0 · PDBe 6GI0 · UniProt Q9I0F2
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