MolNFT v1 · #123438 · protein
Crystal structure of a type 5 SERINE/THREONINE protein phosphatase from arabidopsis thaliana
5JJT · SERINE/THREONINE-protein phosphatase 5: “Crystal structure of a type 5 SERINE/THREONINE protein phosphatase from arabidopsis thaliana”. X-ray diffraction, 1 ligand (NI), 7 pockets (best druggability 0.70). MolNFT v1 #123438 on…
- PDB
- 5JJT
- Type
- protein
- Length
- 950 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein phosphatase 5
- EC
- 3.1.3.16
- UniProt
- Q84XU2
- Ligands
- NI
- Pockets
- 7 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein phosphatase 5 (EC 3.1.3.16) | protein | 471 | 47% helix, 13% strand | Q84XU2 |
| B | SERINE/THREONINE-protein phosphatase 5 (EC 3.1.3.16) | protein | 479 | 47% helix, 12% strand | Q84XU2 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 406 | 0.70 | 0.81 | 50 | empty |
| 2 | 513 | 0.68 | 0.79 | 70 | NI |
| 3 | 431 | 0.68 | 0.80 | 67 | NI |
| 4 | 237 | 0.68 | 0.84 | 25 | empty |
| 5 | 296 | 0.55 | 0.76 | 38 | empty |
Interfaces
1 interface between chains.
- A–B · 627 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 5JJT · Crystal structure of a type 5 serine/threonine protein phosphatase from Arabidopsis… · the same entry in another collection · chain A against A, TM-score 1.00
- Q84XU2 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 5 (Q84XU2) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q84XU2
- Elsewhere: RCSB PDB 5JJT · PDBe 5JJT · UniProt Q84XU2
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