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MolNFT v1 · #99818 · protein

Structure of the core fragment of human PR70

4MEW · SERINE/THREONINE-protein phosphatase 2A regulatory subunit…: “Structure of the core fragment of human PR70”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.45). MolNFT v1 #99818 on GenesisL1: 3D structure, binding…

PDB
4MEW
Type
protein
Length
348 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SERINE/THREONINE-protein phosphatase 2A regulatory subunit B'' subunit beta
UniProt
Q9Y5P8
Ligands
CA
Pockets
5 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASERINE/THREONINE-protein phosphatase 2A regulatory subunit B'' subunit betaprotein34861% helix, 5% strandQ9Y5P8

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A
  • GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.450.7729empty
21060.350.7317empty
3610.320.7619empty
4600.310.7518empty
5510.250.7317empty

Modifications

Observed in the structure: 9 modified (engineered).

Compared structures

  • 4MEW · Structure of the core fragment of human PR70 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Y5P8 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2A regulatory… · a predicted model of the same protein · chain A against A, TM-score 0.94

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