Research workbench
Crystal structure of metallothiol transferase from bacillus anthracis str. ames
Analyse Crystal structure of metallothiol transferase from bacillus anthracis str. ames in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5F6Q
- Type
- protein
- Length
- 280 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metallothiol transferase fosb 2
- EC
- 2.5.1.-
- UniProt
- Q81W73
- Ligands
- ZN, K, CL, SO4
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Metallothiol transferase fosb 2 (EC 2.5.1.-) | protein | 140 | 29% helix, 30% strand | Q81W73 |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains A, B
- K · Potassium ion · metal · chains B
- CL · Chloride ion · ion · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 299 | 0.58 | 0.77 | 30 | GOL |
| 2 | 244 | 0.50 | 0.75 | 21 | empty |
| 3 | 87 | 0.33 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 408 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5F6Q · Crystal Structure of Metallothiol Transferase from Bacillus anthracis str. Ames · the same entry in another collection · chain A against A, TM-score 1.00
- Q81W73 · AlphaFold monomer V2.0 prediction for metallothiol transferase fosb 2 (Q81W73) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q81W73
- Elsewhere: RCSB PDB 5F6Q · PDBe 5F6Q · UniProt Q81W73
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