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Complex between protein SER/THR phosphatase-1 (delta) and the myosin phosphatase targeting subunit 1 (MYPT1)

Analyse Complex between protein SER/THR phosphatase-1 (delta) and the myosin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1S70
Type
protein
Length
600 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SERINE/THREONINE protein phosphatase PP1-beta (or delta) catalytic subunit; 130 kda…
EC
3.1.3.16, 3.1.3.53
UniProt
P62140, Q90624
Ligands
MN
Pockets
6 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASERINE/THREONINE protein phosphatase PP1-beta (or delta) catalytic subunit (EC 3.1.3.16)protein30931% helix, 17% strandP62140
B130 kda myosin-binding subunit of smooth muscle myosin phophatase (M130) (EC 3.1.3.53)protein29153% helix, 1% strandQ90624

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 2 copies · chains A
  • PGE · Triethylene glycol · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13070.610.7935PGE
24090.600.7656empty
31910.510.7724empty
41680.470.7621empty
51660.460.7628empty

Interfaces

1 interface between chains.

  • A–B · 2616 Ų buried · 37 hydrogen bonds · protein-protein

Compared structures

  • 1S70 · Complex between protein ser/thr phosphatase-1 (delta) and the myosin phosphatase… · the same entry in another collection · chain A against A, TM-score 1.00
  • P62140 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase PP1-beta… · a predicted model of the same protein · chain A against A, TM-score 0.96

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