Research workbench
Structure of unliganded FHUD2 from staphylococcus aureus
Analyse Structure of unliganded FHUD2 from staphylococcus aureus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FNA
- Type
- protein
- Length
- 830 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferric hydroxamate receptor 2
- UniProt
- Q7BGA5
- Ligands
- SO4
- Pockets
- 10 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ferric hydroxamate receptor 2 | protein | 278 | 40% helix, 18% strand | Q7BGA5 |
| C | Ferric hydroxamate receptor 2 | protein | 274 | 37% helix, 19% strand | Q7BGA5 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 13 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1118 | 0.84 | 0.85 | 117 | SO4 |
| 2 | 401 | 0.73 | 0.84 | 58 | empty |
| 3 | 237 | 0.70 | 0.86 | 29 | SO4 |
| 4 | 166 | 0.59 | 0.82 | 31 | empty |
| 5 | 61 | 0.48 | 0.85 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–C · 765 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 706 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 700 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4FNA · Structure of unliganded FhuD2 from Staphylococcus Aureus · 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 4FNA · PDBe 4FNA · UniProt Q7BGA5
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