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MolNFT v1 · #146640 · protein

Crystal structure of protein phosphatase 1 (PP1) bound to the muscle glycogen-targeting subunit (gm)

6DNO · SERINE/THREONINE-protein phosphatase PP1-alpha catalytic…: “Crystal structure of protein phosphatase 1 (PP1) bound to the muscle glycogen-targeting subunit (gm)”. X-ray diffraction, 3 ligands (1ZN, FGA, DAM), 2 pockets (best…

PDB
6DNO
Type
protein
Length
320 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit; Protein phosphatase 1…
EC
3.1.3.16
UniProt
P62136, Q00756
Ligands
1ZN, FGA, DAM
Pockets
2 · best druggability 0.59

Structure

x-ray diffraction · 3 distinct chains · 32% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit (EC 3.1.3.16)protein29434% helix, 20% strandP62136
BProtein phosphatase 1 regulatory subunit 3Aprotein2218% helix, 36% strandQ00756
CMicrocystin-lrprotein40% helix, 0% strand—

Ligands and binding sites

  • 1ZN · (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid · ligand · chains A, C
  • FGA · Gamma-D-glutamic acid · ligand · chains A, C
  • DAM · N-methyl-alpha-beta-dehydroalanine · ligand · chains A, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12490.590.79321ZN, FGA, DAM
2950.370.7520empty

Interfaces

2 interfaces between chains.

  • A–B · 1132 Ų buried · 16 hydrogen bonds · protein-protein
  • A–C · 292 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 covalent, 1 d-amino, 1 modified (covalent ligand, D-amino acid, nonstandard).

Compared structures

  • 6DNO · Crystal structure of Protein Phosphatase 1 (PP1) bound to the muscle glycogen-targeting… · the same entry in another collection · chain A against A, TM-score 1.00
  • P62136 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase PP1-alpha… · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q00756 · AlphaFold monomer V2.0 prediction for protein phosphatase 1 regulatory subunit 3A (Q00756) · a predicted model of the same protein · chain B against A, TM-score 0.22

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