Research workbench
Crystal structures of ywqe from bacillus subtilis and cpsb from streptococcus pneumoniae, unique metal-dependent tyrosine phosphatases
Analyse Crystal structures of ywqe from bacillus subtilis and cpsb from streptococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QY8
- Type
- protein
- Length
- 243 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase cpsb
- EC
- 3.1.3.48
- UniProt
- Q9AHD4
- Ligands
- FE, MG, SO4
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase cpsb (EC 3.1.3.48) | protein | 243 | 46% helix, 14% strand | Q9AHD4 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 2 copies · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 154 | 0.44 | 0.75 | 34 | FE, SO4 |
| 2 | 74 | 0.40 | 0.79 | 15 | empty |
Compared structures
- 3QY8 · Crystal structures of YwqE from Bacillus subtilis and CpsB from Streptococcus pneumoniae… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9AHD4 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase cpsb (Q9AHD4) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 Q9AHD4
- Elsewhere: RCSB PDB 3QY8 · PDBe 3QY8 · UniProt Q9AHD4
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