Research workbench
Crystal structure of the sensory domain of the campylobacter jejuni chemoreceptor TLP3 (ccml) with isoleucine bound.
Analyse Crystal structure of the sensory domain of the campylobacter jejuni… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XMR
- Type
- protein
- Length
- 497 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative methyl-accepting chemotaxis signal transduction protein
- UniProt
- Q0P864
- Ligands
- ILE, 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 | Putative methyl-accepting chemotaxis signal transduction protein | protein | 245 | 42% helix, 29% strand | Q0P864 |
| B | Putative methyl-accepting chemotaxis signal transduction protein | protein | 252 | 42% helix, 28% strand | Q0P864 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 791 | 0.74 | 0.79 | 56 | empty |
| 2 | 51 | 0.62 | 0.93 | 14 | ILE |
| 3 | 208 | 0.55 | 0.78 | 26 | empty |
| 4 | 64 | 0.54 | 0.87 | 17 | empty |
| 5 | 117 | 0.50 | 0.80 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 949 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4XMR · Crystal structure of the sensory domain of the Campylobacter jejuni chemoreceptor Tlp3… · 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 Q0P864
- Elsewhere: RCSB PDB 4XMR · PDBe 4XMR · UniProt Q0P864
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