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Crystal structure of SERINE/THREONINE phosphatase sphaerobacter thermophilus dsm 20745

Analyse Crystal structure of SERINE/THREONINE phosphatase sphaerobacter thermophilus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3PU9
Type
protein
Length
472 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein SERINE/THREONINE phosphatase
UniProt
D1C2D8
Ligands
MG
Pockets
5 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BProtein SERINE/THREONINE phosphataseprotein23626% helix, 35% strandD1C2D8

Ligands and binding sites

  • MG · Magnesium ion · metal · 4 copies · chains A, B
  • GOL · Glycerol · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11210.770.9632empty
21180.540.8325empty
3970.470.8123GOL
4880.370.7615empty
51170.360.7330empty

Interfaces

1 interface between chains.

  • A–B · 2509 Ų buried · 53 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

  • 3PU9 · Crystal structure of serine/threonine phosphatase Sphaerobacter thermophilus DSM 20745 · the same entry in another collection · chain A against A, TM-score 1.00

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