MolNFT v1 · #185357 · protein
Structure of the ligand binding domain of the pctd (PA4633) chemoreceptor of pseudomonas aeruginosa PAO1 in complex with choline.
7PRQ · Probable chemotaxis transducer: “Structure of the ligand binding domain of the pctd (PA4633) chemoreceptor of pseudomonas aeruginosa PAO1 in…”. X-ray diffraction, 1 ligand (CHT), 6 pockets (best druggability 0.71). MolNFT v1 #185357…
- PDB
- 7PRQ
- Type
- protein
- Length
- 620 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable chemotaxis transducer
- UniProt
- Q9HVF8
- Ligands
- CHT
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable chemotaxis transducer | protein | 304 | 38% helix, 29% strand | Q9HVF8 |
| B | Probable chemotaxis transducer | protein | 316 | 37% helix, 27% strand | Q9HVF8 |
Ligands and binding sites
- CHT · Choline ion · ligand · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 649 | 0.71 | 0.79 | 92 | EDO |
| 2 | 66 | 0.62 | 0.91 | 22 | CHT |
| 3 | 354 | 0.61 | 0.77 | 40 | GOL |
| 4 | 83 | 0.54 | 0.85 | 25 | CHT |
| 5 | 73 | 0.33 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1916 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7PRQ · Structure of the ligand binding domain of the PctD (PA4633) chemoreceptor of Pseudomonas… · 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 Q9HVF8
- Elsewhere: RCSB PDB 7PRQ · PDBe 7PRQ · UniProt Q9HVF8
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