MolNFT v1 · #168046 · protein
Crystal structure of ligand-binding domain of campylobacter jejuni chemoreceptor TLP3 in complex with 3-methylisoleucine
6W3R · Methyl-accepting chemotaxis protein: “Crystal structure of ligand-binding domain of campylobacter jejuni chemoreceptor TLP3 in complex with…”. X-ray diffraction, 4 ligands (I2M, NA, CL), 9 pockets (best druggability 0.74). MolNFT v1…
- PDB
- 6W3R
- Type
- protein
- Length
- 496 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyl-accepting chemotaxis protein
- UniProt
- A0A3X8N4T9
- Ligands
- I2M, NA, CL, SO4
- Pockets
- 9 · 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 | 245 | 42% helix, 29% strand | A0A3X8N4T9 |
| B | Methyl-accepting chemotaxis protein | protein | 251 | 41% helix, 28% strand | A0A3X8N4T9 |
Ligands and binding sites
- I2M · 3-methyl-L-alloisoleucine · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 3 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 770 | 0.74 | 0.79 | 54 | empty |
| 2 | 55 | 0.62 | 0.92 | 14 | I2M |
| 3 | 68 | 0.59 | 0.89 | 16 | I2M |
| 4 | 134 | 0.51 | 0.79 | 25 | CL |
| 5 | 166 | 0.45 | 0.75 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 986 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6W3R · 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 6W3R · PDBe 6W3R · UniProt A0A3X8N4T9
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