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MolNFT v1 · #17986 · protein

Yersinia protein-tyrosine phosphatase complexed with pncs (YOP51, pasteurella X,PTPASE,YOP51DELTA162) (catalytic domain, residues 163- 468) mutant with cys 235 replaced by arg (C235R)

1PA9 · Protein-tyrosine phosphatase yoph: “Yersinia protein-tyrosine phosphatase complexed with pncs (YOP51, pasteurella X,PTPASE,YOP51DELTA162)…”. X-ray diffraction, 1 ligand (CSN), 1 pocket (best druggability 0.39). MolNFT v1 #17986 on…

PDB
1PA9
Type
protein
Length
279 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein-tyrosine phosphatase yoph
EC
3.1.3.48
UniProt
P15273
Ligands
CSN
Pockets
1 · best druggability 0.39

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein-tyrosine phosphatase yoph (EC 3.1.3.48)protein27938% helix, 21% strandP15273

Ligands and binding sites

  • CSN · N,4-dihydroxy-N-oxo-3-(sulfooxy)benzenaminium · ligand · 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
11000.390.7619empty

Compared structures

  • 1PA9 · Yersinia Protein-Tyrosine Phosphatase complexed with pNCS (Yop51,Pasteurella… · the same entry in another collection · chain A against A, TM-score 1.00
  • P15273 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase yoph (P15273) · a predicted model of the same protein · chain A against A, TM-score 0.99

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