Research workbench
Crystal structure of iron-bound HitA from Pseudomonas aeruginosa
Analyse Crystal structure of iron-bound HitA from Pseudomonas aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6IVY
- Type
- protein
- Length
- 613 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2
- Source
- Pseudomonas aeruginosa PAO1
- Molecule
- Periplasmic Ferric iron-binding Protein HitA
- UniProt
- Q9HVA8
- Ligands
- FE, PO4
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · resolution 2 · 2 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Periplasmic Ferric iron-binding Protein HitA | protein | 306 | 46% helix, 17% strand | Q9HVA8 |
| B | Periplasmic Ferric iron-binding Protein HitA | protein | 307 | 46% helix, 18% strand | Q9HVA8 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1139 | 0.73 | 0.76 | 141 | PO4 |
| 2 | 238 | 0.51 | 0.76 | 37 | PO4 |
| 3 | 55 | 0.38 | 0.80 | 18 | empty |
| 4 | 56 | 0.38 | 0.79 | 12 | empty |
| 5 | 51 | 0.26 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 389 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6IVY · Crystal structure of iron-bound hita from pseudomonas aeruginosa · 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 Q9HVA8
- Elsewhere: RCSB PDB 6IVY · PDBe 6IVY · UniProt Q9HVA8
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