Research workbench
Crystal structure of the cbs domains from the bacillus subtilis ccpn repressor complexed with appnp, phosphate and magnesium ions
Analyse Crystal structure of the cbs domains from the bacillus subtilis ccpn repressor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FWS
- Type
- protein
- Length
- 291 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Yqzb protein
- UniProt
- O34994
- Ligands
- ANP, MG, PO4
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Yqzb protein | protein | 145 | 39% helix, 28% strand | O34994 |
| B | Yqzb protein | protein | 146 | 41% helix, 27% strand | O34994 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 3 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 637 | 0.72 | 0.80 | 64 | ANP, PO4, MG |
| 2 | 84 | 0.37 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1921 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3FWS · Crystal Structure of the CBS domains from the Bacillus subtilis CcpN repressor complexed… · the same entry in another collection · chain A against A, TM-score 1.00
- O34994 · AlphaFold monomer V2.0 prediction for transcriptional repressor ccpn (O34994) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 O34994
- Elsewhere: RCSB PDB 3FWS · PDBe 3FWS · UniProt O34994
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