MolNFT v1 · #185373 · protein
Structure of the ligand binding domain of the paca (ECA2226) chemoreceptor of pectobacterium atrosepticum SCRI1043 in complex with betaine.
7PSG · Methyl-accepting chemotaxis protein: “Structure of the ligand binding domain of the paca (ECA2226) chemoreceptor of pectobacterium atrosepticum…”. X-ray diffraction, 1 ligand (BET), 9 pockets (best druggability 0.79). MolNFT v1…
- 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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