MolNFT v1 · #76883 · protein
Crystal structures of ywqe from bacillus subtilis and cpsb from streptococcus pneumoniae, unique metal-dependent tyrosine phosphatases
3QY7 · Tyrosine-protein phosphatase ywqe: “Crystal structures of ywqe from bacillus subtilis and cpsb from streptococcus pneumoniae, unique…”. X-ray diffraction, 3 ligands (FE, MG, PO4), 1 pocket (best druggability 0.34). MolNFT v1 #76883…
- PDB
- 3QY7
- Type
- protein
- Length
- 247 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase ywqe
- EC
- 3.1.3.48
- UniProt
- P96717
- Ligands
- FE, MG, PO4
- Pockets
- 1 · best druggability 0.34
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase ywqe (EC 3.1.3.48) | protein | 247 | 44% helix, 15% strand | P96717 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 2 copies · chains A
- MG · Magnesium ion · metal · chains A
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.34 | 0.78 | 22 | MG, PO4 |
Compared structures
- 3QY7 · 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
- P96717 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase ywqe (P96717) · 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 P96717
- Elsewhere: RCSB PDB 3QY7 · PDBe 3QY7 · UniProt P96717
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