MolNFT v1 · #139572 · protein
Two intermediate states of conformation switch in dual specificity phosphatase 13A
5XJV · Dual specificity protein phosphatase 13 isoform a: “Two intermediate states of conformation switch in dual specificity phosphatase 13A”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.60). MolNFT v1 #139572 on…
- PDB
- 5XJV
- Type
- protein
- Length
- 341 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dual specificity protein phosphatase 13 isoform a
- EC
- 3.1.3.16, 3.1.3.48
- UniProt
- Q6B8I1
- Ligands
- PO4
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity protein phosphatase 13 isoform a (EC 3.1.3.16, 3.1.3.48) | protein | 170 | 43% helix, 15% strand | Q6B8I1 |
| B | Dual specificity protein phosphatase 13 isoform a (EC 3.1.3.16, 3.1.3.48) | protein | 171 | 43% helix, 12% strand | Q6B8I1 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.60 | 0.87 | 21 | empty |
| 2 | 77 | 0.56 | 0.87 | 28 | empty |
| 3 | 50 | 0.25 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 761 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5XJV · Two intermediate states of conformation switch in dual specificity phosphatase 13a · the same entry in another collection · chain A against A, TM-score 1.00
- Q6B8I1 · AlphaFold monomer V2.0 prediction for dual specificity protein phosphatase 13 isoform a… · a predicted model of the same protein · chain B against A, TM-score 0.95
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 Q6B8I1
- Elsewhere: RCSB PDB 5XJV · PDBe 5XJV · UniProt Q6B8I1
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