MolNFT v1 · #146526 · protein
Crystal structure of campylobacter jejuni peroxide stress regulator
6DK4 · Ferric uptake regulation protein: “Crystal structure of campylobacter jejuni peroxide stress regulator”. X-ray diffraction, 2 ligands (MN, ZN), 4 pockets (best druggability 0.56). MolNFT v1 #146526 on GenesisL1: 3D structure…
- PDB
- 6DK4
- Type
- protein
- Length
- 248 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferric uptake regulation protein
- UniProt
- Q0PBI7
- Ligands
- MN, ZN
- Pockets
- 4 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferric uptake regulation protein | protein | 135 | 42% helix, 18% strand | Q0PBI7 |
| B | Ferric uptake regulation protein | protein | 113 | 39% helix, 21% strand | Q0PBI7 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 306 | 0.56 | 0.76 | 30 | empty |
| 2 | 55 | 0.37 | 0.80 | 14 | empty |
| 3 | 75 | 0.30 | 0.73 | 14 | empty |
| 4 | 56 | 0.25 | 0.72 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 437 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6DK4 · Crystal structure of Campylobacter jejuni peroxide stress regulator · 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 Q0PBI7
- Elsewhere: RCSB PDB 6DK4 · PDBe 6DK4 · UniProt Q0PBI7
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