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Crystal structure of metallothiol transferase fosb 2 from bacillus anthracis str. ames
Analyse Crystal structure of metallothiol transferase fosb 2 from bacillus anthracis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JD1
- Type
- protein
- Length
- 295 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
- FCN, ZN
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metallothiol transferase fosb 2 (EC 2.5.1.-) | protein | 147 | 29% helix, 31% strand | Q81W73 |
| B | Metallothiol transferase fosb 2 (EC 2.5.1.-) | protein | 148 | 30% helix, 30% strand | Q81W73 |
Ligands and binding sites
- FCN · Fosfomycin · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- PGE · Triethylene glycol · additive · 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 | 218 | 0.85 | 0.97 | 36 | PGE |
| 2 | 82 | 0.47 | 0.82 | 18 | ZN, FCN |
| 3 | 97 | 0.46 | 0.80 | 22 | ZN, FCN |
Interfaces
1 interface between chains.
- A–B · 2459 Ų buried · 48 hydrogen bonds · protein-protein
Compared structures
- 4JD1 · Crystal Structure of Metallothiol Transferase FosB 2 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 0.88
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 4JD1 · PDBe 4JD1 · UniProt Q81W73
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