Research workbench
Structure of FHUD2 from staphylococcus aureus with bound ferrioxamine B
Analyse Structure of FHUD2 from staphylococcus aureus with bound ferrioxamine B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FIL
- Type
- protein
- Length
- 1,024 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferric hydroxamate receptor 2
- UniProt
- Q7BGA5
- Ligands
- 0UE, ZN
- Pockets
- 12 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Ferric hydroxamate receptor 2 | protein | 256 | 47% helix, 18% strand | Q7BGA5 |
Ligands and binding sites
- 0UE · Ferrioxamine B · ligand · 4 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 56 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 12 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1035 | 0.76 | 0.78 | 68 | 0UE, ZN |
| 2 | 820 | 0.72 | 0.77 | 69 | ZN, EDO |
| 3 | 266 | 0.63 | 0.81 | 29 | ZN, EDO |
| 4 | 295 | 0.57 | 0.77 | 28 | 0UE, ZN |
| 5 | 265 | 0.55 | 0.76 | 26 | 0UE |
Interfaces
4 interfaces between chains.
- A–C · 543 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 490 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 160 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 39 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4FIL · Structure of FhuD2 from Staphylococcus Aureus with Bound Ferrioxamine B · 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 Q7BGA5
- Elsewhere: RCSB PDB 4FIL · PDBe 4FIL · UniProt Q7BGA5
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