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MolNFT v1 · #105629 · protein

Crystal structure of PP2CA-D38A

4RAF · Protein phosphatase 1A: “Crystal structure of PP2CA-D38A”. X-ray diffraction, 1 ligand (MN), 4 pockets (best druggability 0.42). MolNFT v1 #105629 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4RAF
Type
protein
Length
362 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
Pockets
4 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein phosphatase 1A (EC 3.1.3.16)protein36237% helix, 24% strandP35813

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 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
11050.420.7717empty
21060.380.7519empty
3760.360.7614empty
4580.330.7717empty

Compared structures

  • 4RAF · Crystal structure of PP2Ca-D38A · 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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