MolNFT v1 · #160695 · protein
Photoconvertible crystals of pixj from thermosynechococcus elongatus
6PRU · Methyl-accepting chemotaxis protein: “Photoconvertible crystals of pixj from thermosynechococcus elongatus”. X-ray diffraction, 3 ligands (VRB, MG, CL), 5 pockets (best druggability 0.70). MolNFT v1 #160695 on GenesisL1: 3D…
- PDB
- 6PRU
- Type
- protein
- Length
- 300 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyl-accepting chemotaxis protein
- UniProt
- Q8DLC7
- Ligands
- VRB, MG, CL
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Methyl-accepting chemotaxis protein | protein | 150 | 41% helix, 26% strand | Q8DLC7 |
Ligands and binding sites
- VRB · Phycoviolobilin, blue light-absorbing form · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- CL · Chloride ion · ion · 10 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 162 | 0.70 | 0.88 | 25 | VRB, EDO |
| 2 | 190 | 0.69 | 0.86 | 25 | VRB, EDO |
| 3 | 92 | 0.55 | 0.85 | 17 | empty |
| 4 | 50 | 0.29 | 0.76 | 11 | empty |
| 5 | 72 | 0.28 | 0.72 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 917 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 covalent (covalent ligand).
Compared structures
- 6PRU · Photoconvertible crystals of PixJ from Thermosynechococcus elongatus · 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 Q8DLC7
- Elsewhere: RCSB PDB 6PRU · PDBe 6PRU · UniProt Q8DLC7
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