MolNFT v1 · #107726 · protein
Isolated globin domain of the bordetella pertussis globin- coupled sensor with a heme at the dimer interface
4UIQ · Globin-coupled sensor with diguanylate cyclase activity: “Isolated globin domain of the bordetella pertussis globin- coupled sensor with a heme at the dimer interface”. X-ray diffraction, 1 ligand (HEM), 2 pockets (best druggability…
- PDB
- 4UIQ
- Type
- protein
- Length
- 307 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Globin-coupled sensor with diguanylate cyclase activity
- EC
- 2.7.7.65
- UniProt
- Q7VTL8
- Ligands
- HEM
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 82% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Globin-coupled sensor with diguanylate cyclase activity (EC 2.7.7.65) | protein | 154 | 82% helix, 0% strand | Q7VTL8 |
| B | Globin-coupled sensor with diguanylate cyclase activity (EC 2.7.7.65) | protein | 153 | 83% helix, 0% strand | Q7VTL8 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- IMD · Imidazole · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 842 | 0.78 | 0.81 | 82 | HEM, IMD |
| 2 | 109 | 0.42 | 0.77 | 23 | GOL |
Interfaces
1 interface between chains.
- A–B · 302 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4UIQ · Isolated globin domain of the Bordetella pertussis globin-coupled sensor with a heme at… · 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 Q7VTL8
- Elsewhere: RCSB PDB 4UIQ · PDBe 4UIQ · UniProt Q7VTL8
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