Research workbench
RCK_C domain dimer of S.AGALACTIAE busr in complex with C-di-AMP
Analyse RCK_C domain dimer of S.AGALACTIAE busr in complex with C-di-AMP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7B5U
- Type
- protein
- Length
- 157 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gntr family transcriptional regulator
- UniProt
- K0JNC6
- Ligands
- 2BA
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gntr family transcriptional regulator | protein | 81 | 23% helix, 30% strand | K0JNC6 |
| B | Gntr family transcriptional regulator | protein | 76 | 25% helix, 32% strand | K0JNC6 |
Ligands and binding sites
- 2BA · (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-D:3', 2'-J][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5, 10,12-tetrol 5,12-dioxide · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 331 | 0.74 | 0.85 | 24 | 2BA |
Interfaces
1 interface between chains.
- A–B · 695 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7B5U · RCK_C domain dimer of S.agalactiae BusR in complex with c-di-AMP · 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 K0JNC6
- Elsewhere: RCSB PDB 7B5U · PDBe 7B5U · UniProt K0JNC6
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