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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
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).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosine-protein phosphatase ywqe (EC 3.1.3.48)protein24744% helix, 15% strandP96717

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1600.340.7822MG, 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

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