Research workbench
Crystal structure of serine-threonine phosphatase 2C from toxoplasma gondii
Analyse Crystal structure of serine-threonine phosphatase 2C from toxoplasma gondii in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2I44
- Type
- protein
- Length
- 950 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serine-threonine phosphatase 2C
- UniProt
- Q8WPN9
- Ligands
- CA
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Serine-threonine phosphatase 2C | protein | 317 | 34% helix, 29% strand | Q8WPN9 |
| B | Serine-threonine phosphatase 2C | protein | 316 | 35% helix, 31% strand | Q8WPN9 |
Ligands and binding sites
- CA · Calcium ion · metal · 6 copies · chains A, B, 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 | 1045 | 0.84 | 0.85 | 92 | empty |
| 2 | 842 | 0.72 | 0.77 | 69 | CA |
| 3 | 187 | 0.46 | 0.75 | 34 | CA |
| 4 | 128 | 0.45 | 0.77 | 25 | CA |
Interfaces
2 interfaces between chains.
- A–C · 878 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 487 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 39 modified (engineered).
Compared structures
- 2I44 · Crystal structure of serine-threonine phosphatase 2C from Toxoplasma gondii · the same entry in another collection · chain A 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 Q8WPN9
- Elsewhere: RCSB PDB 2I44 · PDBe 2I44 · UniProt Q8WPN9
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