MolNFT v1 · #142095 · protein
Crystal structure of protein phosphate 1 complexed with PP1 binding domain of gl
5ZT0 · SERINE/THREONINE-protein phosphatase PP1-alpha catalytic…: “Crystal structure of protein phosphate 1 complexed with PP1 binding domain of gl”. X-ray diffraction, 2 ligands (MN, PO4), 17 pockets (best druggability 0.77). MolNFT v1…
- PDB
- 5ZT0
- Type
- protein
- Length
- 1,834 residues
- Chains
- 10
- 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
- P62137, Q86XI6
- Ligands
- MN, PO4
- Pockets
- 17 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit (EC 3.1.3.16) | protein | 293 | 35% helix, 19% strand | P62137 |
| G, H, I, J | Protein phosphatase 1 regulatory subunit 3B | protein | 19 | 0% helix, 26% strand | Q86XI6 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 12 copies · chains A, B, C, D, E, F
- PO4 · Phosphate ion · ion · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 902 | 0.77 | 0.80 | 82 | MN, PO4 |
| 2 | 1069 | 0.72 | 0.76 | 77 | MN, PO4 |
| 3 | 371 | 0.69 | 0.82 | 38 | empty |
| 4 | 441 | 0.69 | 0.80 | 46 | MN, PO4 |
| 5 | 75 | 0.41 | 0.80 | 19 | PO4 |
Interfaces
11 interfaces between chains.
- A–G · 957 Ų buried · 19 hydrogen bonds · protein-protein
- D–J · 955 Ų buried · 14 hydrogen bonds · protein-protein
- C–H · 950 Ų buried · 17 hydrogen bonds · protein-protein
- B–I · 910 Ų buried · 18 hydrogen bonds · protein-protein
- A–D · 440 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5ZT0 · Crystal Structure of Protein Phosphate 1 Complexed with PP1 binding domain of GL · the same entry in another collection · chain J against J, TM-score 1.00
- P62137 · 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 1.00
- Q86XI6 · AlphaFold monomer V2.0 prediction for protein phosphatase 1 regulatory subunit 3B (Q86XI6) · a predicted model of the same protein · chain G against A, TM-score 0.21
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 P62137
- Every structure of UniProt Q86XI6
- Elsewhere: RCSB PDB 5ZT0 · PDBe 5ZT0 · UniProt P62137 · UniProt Q86XI6
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