MolNFT v1 · #168044 · protein
Crystal structure of ligand-binding domain of campylobacter jejuni chemoreceptor TLP3 in complex with beta-methylnorleucine
6W3P · Methyl-accepting chemotaxis protein: “Crystal structure of ligand-binding domain of campylobacter jejuni chemoreceptor TLP3 in complex with…”. X-ray diffraction, 4 ligands (SKJ, NA, CL), 8 pockets (best druggability 0.74). MolNFT v1…
- PDB
- 6W3P
- Type
- protein
- Length
- 495 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyl-accepting chemotaxis protein
- UniProt
- A0A3X8N4T9
- Ligands
- SKJ, NA, CL, SO4
- Pockets
- 8 · 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 | 243 | 43% helix, 29% strand | A0A3X8N4T9 |
| B | Methyl-accepting chemotaxis protein | protein | 252 | 41% helix, 28% strand | A0A3X8N4T9 |
Ligands and binding sites
- SKJ · beta-methylnorleucine · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 5 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 774 | 0.74 | 0.79 | 56 | NA |
| 2 | 52 | 0.61 | 0.92 | 14 | SKJ |
| 3 | 137 | 0.52 | 0.80 | 23 | empty |
| 4 | 106 | 0.49 | 0.80 | 23 | CL, NA |
| 5 | 165 | 0.48 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 978 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6W3P · 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 6W3P · PDBe 6W3P · UniProt A0A3X8N4T9
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