MolNFT v1 · #31658 · protein
Crystal structure of enterochelin esterase from shigella flexneri enterochelin esterase
2B20: “Crystal structure of enterochelin esterase from shigella flexneri enterochelin esterase”. X-ray diffraction, 2 pockets (best druggability 0.68). MolNFT v1 #31658 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2B20
- Type
- protein
- Length
- 391 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enterochelin esterase
- UniProt
- Q83SB9
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enterochelin esterase | protein | 391 | 30% helix, 25% strand | Q83SB9 |
Ligands and binding sites
- TLA · L(+)-tartaric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 584 | 0.68 | 0.77 | 51 | empty |
| 2 | 115 | 0.53 | 0.82 | 25 | empty |
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 2B20 · Crystal Structure of Enterochelin Esterase from Shigella flexneri Enterochelin Esterase · 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 2B20 · PDBe 2B20 · UniProt Q83SB9
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