Research workbench
Crystal structure of the enterobactin esterase fes from shigella flexneri in the presence of enterobactin
Analyse Crystal structure of the enterobactin esterase fes from shigella flexneri in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3C87
- Type
- protein
- Length
- 773 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enterochelin esterase
- UniProt
- Q83SB9
- Ligands
- NA, PO4
- Pockets
- 8 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enterochelin esterase | protein | 388 | 32% helix, 25% strand | Q83SB9 |
| B | Enterochelin esterase | protein | 385 | 29% helix, 26% strand | Q83SB9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 936 | 0.88 | 0.90 | 97 | empty |
| 2 | 81 | 0.66 | 0.92 | 21 | empty |
| 3 | 415 | 0.65 | 0.78 | 37 | empty |
| 4 | 126 | 0.49 | 0.79 | 24 | empty |
| 5 | 87 | 0.41 | 0.79 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1500 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 3C87 · Crystal structure of the enterobactin esterase FES from Shigella flexneri in the presence… · the same entry in another collection · chain A 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 Q83SB9
- Elsewhere: RCSB PDB 3C87 · PDBe 3C87 · UniProt Q83SB9
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