Research workbench
Fhua from E. COLI, with its ligand ferrichrome
Analyse Fhua from E. COLI, with its ligand ferrichrome in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1BY5
- Type
- protein
- Length
- 700 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferric hydroxamate uptake protein; Ferrichrome
- UniProt
- P06971
- Ligands
- OES, AHO, FE
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferric hydroxamate uptake protein | protein | 697 | 5% helix, 56% strand | P06971 |
| B | Ferrichrome | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
- OES · N-octyl-2-hydroxyethyl sulfoxide · ligand · 8 copies · chains A
- AHO · N-acetyl-N-hydroxy-L-ornithine · ligand · 3 copies · chains A, B
- FE · Fe (III) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1103 | 0.83 | 0.84 | 105 | AHO, FE |
| 2 | 200 | 0.81 | 0.95 | 58 | empty |
| 3 | 82 | 0.77 | 0.99 | 26 | empty |
| 4 | 871 | 0.74 | 0.78 | 107 | empty |
Interfaces
1 interface between chains.
- A–B · 82 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 covalent, 2 disulfide (covalent ligand, disulfide).
Compared structures
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 P06971
- Elsewhere: RCSB PDB 1BY5 · PDBe 1BY5 · UniProt P06971
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