Research workbench
Crystal structure of protein phosphatase 1 (PP1) bound to the muscle glycogen-targeting subunit (gm)
Analyse Crystal structure of protein phosphatase 1 (PP1) bound to the muscle… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit (EC 3.1.3.16) | protein | 294 | 34% helix, 20% strand | P62136 |
| B | Protein phosphatase 1 regulatory subunit 3A | protein | 22 | 18% helix, 36% strand | Q00756 |
| C | Microcystin-lr | protein | 4 | 0% 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 249 | 0.59 | 0.79 | 32 | 1ZN, FGA, DAM |
| 2 | 95 | 0.37 | 0.75 | 20 | empty |
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
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P62136
- Every structure of UniProt Q00756
- Elsewhere: RCSB PDB 6DNO · PDBe 6DNO · UniProt P62136 · UniProt Q00756
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