Research workbench
Structure of the ligand binding domain of the paca (ECA2226) chemoreceptor of pectobacterium atrosepticum SCRI1043 in complex with betaine.
Analyse Structure of the ligand binding domain of the paca (ECA2226) chemoreceptor of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7PSG
- Type
- protein
- Length
- 1,072 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyl-accepting chemotaxis protein
- UniProt
- Q6D515
- Ligands
- BET
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methyl-accepting chemotaxis protein | protein | 268 | 32% helix, 31% strand | Q6D515 |
| B, D | Methyl-accepting chemotaxis protein | protein | 267 | 31% helix, 31% strand | Q6D515 |
| C | Methyl-accepting chemotaxis protein | protein | 270 | 34% helix, 31% strand | Q6D515 |
Ligands and binding sites
- BET · Trimethyl glycine · ligand · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 856 | 0.79 | 0.82 | 84 | empty |
| 2 | 62 | 0.72 | 0.98 | 20 | empty |
| 3 | 51 | 0.70 | 0.98 | 23 | empty |
| 4 | 156 | 0.61 | 0.84 | 36 | empty |
| 5 | 239 | 0.61 | 0.80 | 41 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1975 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 1967 Ų buried · 27 hydrogen bonds · protein-protein
- B–C · 825 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 62 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7PSG · Structure of the ligand binding domain of the PacA (ECA2226) chemoreceptor of… · 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 Q6D515
- Elsewhere: RCSB PDB 7PSG · PDBe 7PSG · UniProt Q6D515
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