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Crystal structure of human protein phosphatase 1A (PPM1A) bound with citrate at 10 mm of MN2+

Analyse Crystal structure of human protein phosphatase 1A (PPM1A) bound with citrate at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3FXM
Type
protein
Length
363 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein phosphatase 1A
EC
3.1.3.16
UniProt
P35813
Ligands
MN, PO4
Pockets
4 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein phosphatase 1A (EC 3.1.3.16)protein36337% helix, 29% strandP35813

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 2 copies · chains A
  • PO4 · Phosphate ion · ion · chains A
  • FLC · Citrate anion · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11050.440.7820empty
21100.380.7519MN, FLC
3640.340.7718empty
4530.340.7813empty

Compared structures

  • 3FXM · Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Citrate at 10 mM of… · the same entry in another collection · chain A against A, TM-score 1.00
  • P35813 · AlphaFold monomer V2.0 prediction for protein phosphatase 1A (P35813) · a predicted model of the same protein · chain A against A, TM-score 1.00

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