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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: 3QY6
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
Pockets: 2 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein phosphatase ywqe (EC 3.1.3.48)	protein	247	43% helix, 13% strand	P96717

Ligands and binding sites

FE · Fe (III) ion · metal · 2 copies · chains A
MG · Magnesium ion · metal · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	55	0.49	0.86	12	empty
2	101	0.38	0.76	21	empty

Compared structures

3QY6 · 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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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 3QY6 · PDBe 3QY6 · UniProt P96717

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