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MolNFT v1 · #65748 · protein

Catalytic domain of human SERINE/THREONINE phosphatase 5 (PP5C) with two MN2+ atoms complexed with cantharidic acid

3H62 · SERINE/THREONINE-protein phosphatase 5: “Catalytic domain of human SERINE/THREONINE phosphatase 5 (PP5C) with two MN2+ atoms complexed with…”. X-ray diffraction, 2 ligands (NHC, MN), 2 pockets (best druggability 0.37). MolNFT v1…

PDB
3H62
Type
protein
Length
630 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SERINE/THREONINE-protein phosphatase 5
EC
3.1.3.16
UniProt
P53041
Ligands
NHC, MN
Pockets
2 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, BSERINE/THREONINE-protein phosphatase 5 (EC 3.1.3.16)protein31535% helix, 20% strandP53041

Ligands and binding sites

  • NHC · (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid · ligand · 2 copies · chains C, B
  • MN · Manganese (II) ion · metal · 4 copies · chains C, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1830.370.7615MN, NHC
2840.370.7616MN, NHC

Compared structures

  • 3H62 · Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms… · the same entry in another collection · chain C against C, TM-score 1.00
  • P53041 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 5 (P53041) · a predicted model of the same protein · chain C against A, TM-score 1.00

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