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Yoph PTP1B wpd loop chimera 2 ptpase bound to vanadate

Analyse Yoph PTP1B wpd loop chimera 2 ptpase bound to vanadate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6DR7
Type
protein
Length
282 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Targeted effector protein
UniProt
O68720
Ligands
VO4
Pockets
3 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATargeted effector proteinprotein28240% helix, 21% strandO68720

Ligands and binding sites

  • VO4 · Vanadate ion · ion · chains A
  • ACT · Acetate ion · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11460.450.7722empty
21020.400.7719ACT, VO4
3500.330.7814empty

Compared structures

  • 6DR7 · YopH PTP1B WPD loop Chimera 2 PTPase bound to vanadate · the same entry in another collection · chain A against A, TM-score 1.00

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