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Structure of inorganic pyrophosphatase

Analyse Structure of inorganic pyrophosphatase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1WGJ
Type
protein
Length
564 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Inorganic pyrophosphatase
EC
3.6.1.1
UniProt
P00817
Ligands
MN, PO4
Pockets
7 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BInorganic pyrophosphatase (EC 3.6.1.1)protein28222% helix, 31% strandP00817

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 8 copies · chains A, B
  • PO4 · Phosphate ion · ion · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16670.670.7552empty
22250.550.7836MN, PO4
3670.510.8518empty
41530.500.7926MN, PO4
5570.480.8516empty

Interfaces

1 interface between chains.

  • A–B · 1003 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 1WGJ · Structure of inorganic pyrophosphatase · the same entry in another collection · chain A against A, TM-score 1.00
  • P00817 · AlphaFold monomer V2.0 prediction for inorganic pyrophosphatase (P00817) · a predicted model of the same protein · chain A against A, TM-score 1.00

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