Research workbench
Crystal structure of ligand-binding domain of campylobacter jejuni chemoreceptor TLP3 in complex with L-valine
Analyse Crystal structure of ligand-binding domain of campylobacter jejuni… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6W3X
- Type
- protein
- Length
- 499 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyl-accepting chemotaxis protein
- UniProt
- A0A3X8N4T9
- Ligands
- VAL, SO4
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methyl-accepting chemotaxis protein | protein | 248 | 42% helix, 28% strand | A0A3X8N4T9 |
| B | Methyl-accepting chemotaxis protein | protein | 251 | 42% helix, 28% strand | A0A3X8N4T9 |
Ligands and binding sites
- VAL · Valine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 797 | 0.74 | 0.79 | 55 | empty |
| 2 | 161 | 0.47 | 0.76 | 23 | empty |
| 3 | 69 | 0.46 | 0.82 | 15 | empty |
| 4 | 74 | 0.40 | 0.79 | 15 | GOL |
| 5 | 70 | 0.36 | 0.77 | 14 | GOL |
Interfaces
1 interface between chains.
- A–B · 953 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6W3X · Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in… · 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 A0A3X8N4T9
- Elsewhere: RCSB PDB 6W3X · PDBe 6W3X · UniProt A0A3X8N4T9
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