Research workbench
The structure of the helicobacter pylori ferric uptake regulator fur reveals three functional metal binding sites
Analyse The structure of the helicobacter pylori ferric uptake regulator fur reveals… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2XIG
- Type
- protein
- Length
- 592 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferric uptake regulation protein
- UniProt
- O25671
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 45% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferric uptake regulation protein | protein | 146 | 46% helix, 23% strand | O25671 |
| B, D | Ferric uptake regulation protein | protein | 148 | 46% helix, 22% strand | O25671 |
| C | Ferric uptake regulation protein | protein | 150 | 43% helix, 23% strand | O25671 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1024 | 0.77 | 0.79 | 96 | CIT |
| 2 | 1085 | 0.72 | 0.76 | 80 | empty |
| 3 | 71 | 0.35 | 0.77 | 14 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1466 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 1428 Ų buried · 26 hydrogen bonds · protein-protein
- B–C · 532 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 482 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 454 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2XIG · The structure of the Helicobacter pylori ferric uptake regulator Fur reveals three… · the same entry in another collection · chain D against D, TM-score 1.00
- O25671 · AlphaFold monomer V2.0 prediction for ferric uptake regulation protein (O25671) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 O25671
- Elsewhere: RCSB PDB 2XIG · PDBe 2XIG · UniProt O25671
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