Research workbench
The crystal structure of bshc from bacillus subtilis complexed with citrate and ADP
Analyse The crystal structure of bshc from bacillus subtilis complexed with citrate and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WBD
- Type
- protein
- Length
- 540 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bshc
- UniProt
- P55342
- Ligands
- ADP
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bshc | protein | 540 | 57% helix, 15% strand | P55342 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- CIT · Citric acid · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 436 | 0.65 | 0.78 | 49 | CIT, GOL |
| 2 | 308 | 0.65 | 0.81 | 45 | empty |
| 3 | 211 | 0.58 | 0.80 | 38 | ADP |
| 4 | 125 | 0.51 | 0.80 | 17 | empty |
Compared structures
- 4WBD · The crystal structure of BshC from Bacillus subtilis complexed with citrate and ADP · the same entry in another collection · chain A against A, TM-score 1.00
- P55342 · AlphaFold monomer V2.0 prediction for putative cysteine ligase bshc (P55342) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P55342
- Elsewhere: RCSB PDB 4WBD · PDBe 4WBD · UniProt P55342
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