MolNFT v1 · #100891 · protein
Crystal structure of fosb from staphylococcus aureus with bs-CYS9 disulfide at 1.62 ångström resolution
4NB0 · Metallothiol transferase fosb: “Crystal structure of fosb from staphylococcus aureus with bs-CYS9 disulfide at 1.62 ångström resolution”. X-ray diffraction, 2 ligands (CYS, SO4), 3 pockets (best druggability 0.50). MolNFT v1 #100891…
- PDB
- 4NB0
- Type
- protein
- Length
- 243 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Metallothiol transferase fosb
- EC
- 2.5.1.-
- UniProt
- P60864
- Ligands
- CYS, SO4
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Metallothiol transferase fosb (EC 2.5.1.-) | protein | 118 | 26% helix, 40% strand | P60864 |
| B | Metallothiol transferase fosb (EC 2.5.1.-) | protein | 125 | 26% helix, 38% strand | P60864 |
Ligands and binding sites
- CYS · Cysteine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains B
- GOL · Glycerol · additive · chains 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 | 0.50 | 0.76 | 32 | CYS |
| 2 | 92 | 0.38 | 0.77 | 19 | empty |
| 3 | 81 | 0.38 | 0.77 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 2479 Ų buried · 42 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 4NB0 · Crystal Structure of FosB from Staphylococcus aureus with BS-Cys9 disulfide at 1.62… · the same entry in another collection · chain A against A, TM-score 1.00
- P60864 · AlphaFold monomer V2.0 prediction for metallothiol transferase fosb (P60864) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P60864
- Elsewhere: RCSB PDB 4NB0 · PDBe 4NB0 · UniProt P60864
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