Research workbench
Crystal structure of the effector-binding domain of S. aureus ccpe
Analyse Crystal structure of the effector-binding domain of S. aureus ccpe in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QBA
- Type
- protein
- Length
- 400 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysr family regulatory protein
- UniProt
- Q6GBF8
- Ligands
- CL
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysr family regulatory protein | protein | 204 | 40% helix, 33% strand | Q6GBF8 |
| B | Lysr family regulatory protein | protein | 196 | 37% helix, 33% strand | Q6GBF8 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 465 | 0.71 | 0.81 | 55 | CL |
| 2 | 229 | 0.53 | 0.77 | 24 | empty |
| 3 | 121 | 0.40 | 0.75 | 21 | empty |
| 4 | 101 | 0.36 | 0.75 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1226 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 17 modified (engineered).
Compared structures
- 4QBA · Crystal structure of the effector-binding domain of S. aureus CcpE · 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 Q6GBF8
- Elsewhere: RCSB PDB 4QBA · PDBe 4QBA · UniProt Q6GBF8
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