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Repoman-PP1G (protein phosphatase 1, gamma isoform) holoenzyme complex

Analyse Repoman-PP1G (protein phosphatase 1, gamma isoform) holoenzyme complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5INB
Type
protein
Length
326 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SERINE/THREONINE-protein phosphatase PP1-gamma catalytic subunit; Cell division…
EC
3.1.3.16
UniProt
P36873, Q69YH5
Ligands
NA
Pockets
3 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASERINE/THREONINE-protein phosphatase PP1-gamma catalytic subunit (EC 3.1.3.16)protein29335% helix, 20% strandP36873
BCell division cycle-associated protein 2protein330% helix, 18% strandQ69YH5

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • GOL · Glycerol · additive · 6 copies · chains A
  • MLI · Malonate ion · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.440.7719empty
2730.320.7418MLI
3640.320.7614GOL

Interfaces

1 interface between chains.

  • A–B · 1379 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 5INB · RepoMan-PP1g (protein phosphatase 1, gamma isoform) holoenzyme complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P36873 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase PP1-gamma… · a predicted model of the same protein · chain A against A, TM-score 1.00
  • Q69YH5 · AlphaFold monomer V2.0 prediction for cell division cycle-associated protein 2 (Q69YH5) · a predicted model of the same protein · chain B against A, TM-score 0.28

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