MolNFT v1 · #146528 · protein
Rets histidine kinase region with cobalt
6DK7 · Rets (regulator of exopolysaccharide and type III secretion): “Rets histidine kinase region with cobalt”. X-ray diffraction, 1 ligand (CO), 20 pockets (best druggability 0.74). MolNFT v1 #146528 on GenesisL1: 3D structure, binding…
- PDB
- 6DK7
- Type
- protein
- Length
- 1,795 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rets (regulator of exopolysaccharide and type III secretion)
- UniProt
- Q9HUV7
- Ligands
- CO
- Pockets
- 20 · best druggability 0.74
Structure
x-ray diffraction · 7 distinct chains · 51% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rets (regulator of exopolysaccharide and type III secretion) | protein | 223 | 50% helix, 21% strand | Q9HUV7 |
| C, D | Rets (regulator of exopolysaccharide and type III secretion) | protein | 225 | 51% helix, 22% strand | Q9HUV7 |
| B | Rets (regulator of exopolysaccharide and type III secretion) | protein | 224 | 50% helix, 20% strand | Q9HUV7 |
| E | Rets (regulator of exopolysaccharide and type III secretion) | protein | 225 | 50% helix, 20% strand | Q9HUV7 |
| F | Rets (regulator of exopolysaccharide and type III secretion) | protein | 223 | 52% helix, 20% strand | Q9HUV7 |
| G | Rets (regulator of exopolysaccharide and type III secretion) | protein | 225 | 50% helix, 20% strand | Q9HUV7 |
| H | Rets (regulator of exopolysaccharide and type III secretion) | protein | 225 | 52% helix, 21% strand | Q9HUV7 |
Ligands and binding sites
- CO · Cobalt (II) ion · metal · 24 copies · chains A, B, E, C, G, D, H, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 870 | 0.74 | 0.78 | 86 | CO |
| 2 | 718 | 0.73 | 0.79 | 61 | CO |
| 3 | 396 | 0.66 | 0.80 | 45 | empty |
| 4 | 354 | 0.64 | 0.80 | 36 | empty |
| 5 | 498 | 0.63 | 0.76 | 51 | empty |
Interfaces
12 interfaces between chains.
- E–F · 1701 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 1664 Ų buried · 8 hydrogen bonds · protein-protein
- G–H · 1658 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1650 Ų buried · 7 hydrogen bonds · protein-protein
- B–F · 602 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6DK7 · RetS histidine kinase region with cobalt · 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 Q9HUV7
- Elsewhere: RCSB PDB 6DK7 · PDBe 6DK7 · UniProt Q9HUV7
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