Research workbench
Protein SER/THR phosphatase-1 in complex with cell-permeable peptide
Analyse Protein SER/THR phosphatase-1 in complex with cell-permeable peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4G9J
- Type
- protein
- Length
- 612 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit; Synthetic peptide
- EC
- 3.1.3.16
- UniProt
- P62136
- Ligands
- MN
- Pockets
- 5 · best druggability 0.61
Structure
x-ray diffraction · 3 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 | 292 | 34% helix, 20% strand | P62136 |
| B | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit (EC 3.1.3.16) | protein | 294 | 32% helix, 19% strand | P62136 |
| C, D | Synthetic peptide | protein | 13 | 0% helix, 31% strand | — |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 332 | 0.61 | 0.78 | 27 | empty |
| 2 | 156 | 0.43 | 0.75 | 21 | empty |
| 3 | 118 | 0.37 | 0.74 | 24 | empty |
| 4 | 64 | 0.33 | 0.76 | 17 | empty |
| 5 | 54 | 0.32 | 0.77 | 11 | empty |
Interfaces
3 interfaces between chains.
- A–C · 797 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 727 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 403 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4G9J · Protein Ser/Thr phosphatase-1 in complex with cell-permeable peptide · 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 B against A, TM-score 1.00
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
- Elsewhere: RCSB PDB 4G9J · PDBe 4G9J · UniProt P62136
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