MolNFT v1 · #54226 · protein
The structure of the helicobacter pylori ferric uptake regulator fur reveals three functional metal binding sites
2XIG · Ferric uptake regulation protein: “The structure of the helicobacter pylori ferric uptake regulator fur reveals three functional metal binding…”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.77). MolNFT v1 #54226…
- 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
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.