MolNFT v1 · #160323 · protein
Complete lov domain from the lov-hk sensory protein from brucella abortus (mutant C69S, construct 15-155)
6PH2 · Blue-light-activated histidine kinase: “Complete lov domain from the lov-hk sensory protein from brucella abortus (mutant C69S, construct 15-155)”. X-ray diffraction, 1 ligand (FMN), 8 pockets (best druggability 0.68). MolNFT v1…
- PDB
- 6PH2
- Type
- protein
- Length
- 496 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Blue-light-activated histidine kinase
- EC
- 2.7.13.3
- UniProt
- Q8YC53
- Ligands
- FMN
- Pockets
- 8 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Blue-light-activated histidine kinase (EC 2.7.13.3) | protein | 125 | 31% helix, 30% strand | Q8YC53 |
| B | Blue-light-activated histidine kinase (EC 2.7.13.3) | protein | 123 | 32% helix, 31% strand | Q8YC53 |
| C | Blue-light-activated histidine kinase (EC 2.7.13.3) | protein | 124 | 32% helix, 31% strand | Q8YC53 |
| D | Blue-light-activated histidine kinase (EC 2.7.13.3) | protein | 124 | 31% helix, 31% strand | Q8YC53 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 168 | 0.68 | 0.87 | 23 | FMN |
| 2 | 160 | 0.68 | 0.87 | 22 | FMN |
| 3 | 160 | 0.68 | 0.87 | 24 | FMN |
| 4 | 156 | 0.68 | 0.88 | 23 | FMN |
| 5 | 190 | 0.46 | 0.75 | 31 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1216 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 1194 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 108 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6PH2 · Complete LOV domain from the LOV-HK sensory protein from Brucella abortus (mutant C69S… · the same entry in another collection · chain D against D, TM-score 1.00
- Q8YC53 · AlphaFold monomer V2.0 prediction for blue-light-activated histidine kinase (Q8YC53) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q8YC53
- Elsewhere: RCSB PDB 6PH2 · PDBe 6PH2 · UniProt Q8YC53
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