MolNFT v1 · #100153 · protein
Structure of a second nuclear PP1 holoenzyme, crystal form 2
4MP0 · SERINE/THREONINE-protein phosphatase PP1-alpha catalytic…: “Structure of a second nuclear PP1 holoenzyme, crystal form 2”. X-ray diffraction, 2 ligands (MN, PO4), 4 pockets (best druggability 0.69). MolNFT v1 #100153 on GenesisL1…
- PDB
- 4MP0
- Type
- protein
- Length
- 644 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit…
- EC
- 3.1.3.16
- UniProt
- P62136, O55000
- Ligands
- MN, PO4
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit (EC 3.1.3.16) | protein | 295 | 34% helix, 20% strand | P62136 |
| C | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit (EC 3.1.3.16) | protein | 291 | 34% helix, 20% strand | P62136 |
| B | SERINE/THREONINE-protein phosphatase 1 regulatory subunit 10 | protein | 30 | 10% helix, 23% strand | O55000 |
| D | SERINE/THREONINE-protein phosphatase 1 regulatory subunit 10 | protein | 28 | 11% helix, 18% strand | O55000 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 4 copies · chains A, C
- PO4 · Phosphate ion · ion · 2 copies · chains A, C
- GOL · Glycerol · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 461 | 0.69 | 0.80 | 51 | GOL |
| 2 | 462 | 0.61 | 0.76 | 54 | PO4 |
| 3 | 73 | 0.41 | 0.80 | 26 | empty |
| 4 | 58 | 0.31 | 0.76 | 11 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1627 Ų buried · 37 hydrogen bonds · protein-protein
- C–D · 1339 Ų buried · 29 hydrogen bonds · protein-protein
- A–C · 723 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4MP0 · Structure of a second nuclear PP1 Holoenzyme, crystal form 2 · the same entry in another collection · chain D against D, 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 C against A, TM-score 1.00
- O55000 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 1 regulatory… · a predicted model of the same protein · chain D against A, TM-score 0.38
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 O55000
- Elsewhere: RCSB PDB 4MP0 · PDBe 4MP0 · UniProt P62136 · UniProt O55000
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