Research workbench
Structure of the ligand binding domain of the pctd (PA4633) chemoreceptor of pseudomonas aeruginosa PAO1 in complex with choline.
Analyse Structure of the ligand binding domain of the pctd (PA4633) chemoreceptor of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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