MolNFT v1 · #182363 · protein
Crystal structure of arabidopsis thaliana plant and fungi atypical dual specificity phosphatase 1(ATPFA-DSP1 ) CYS150SER in complex with a metaphosphate intermediate
7MOJ · Tyrosine-protein phosphatase DSP1: “Crystal structure of arabidopsis thaliana plant and fungi atypical dual specificity phosphatase 1(ATPFA-DSP1…”. X-ray diffraction, 1 ligand (PO3), 3 pockets (best druggability 0.46). MolNFT v1…
- PDB
- 7MOJ
- Type
- protein
- Length
- 309 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase DSP1
- EC
- 3.1.3.48
- UniProt
- Q9ZVN4
- Ligands
- PO3
- Pockets
- 3 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase DSP1 (EC 3.1.3.48) | protein | 155 | 46% helix, 14% strand | Q9ZVN4 |
| B | Tyrosine-protein phosphatase DSP1 (EC 3.1.3.48) | protein | 154 | 45% helix, 14% strand | Q9ZVN4 |
Ligands and binding sites
- PO3 · Phosphite 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 91 | 0.46 | 0.80 | 21 | PO3 |
| 2 | 56 | 0.35 | 0.78 | 13 | empty |
| 3 | 64 | 0.34 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1100 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 7MOJ · Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9ZVN4 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase DSP1 (Q9ZVN4) · 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 Q9ZVN4
- Elsewhere: RCSB PDB 7MOJ · PDBe 7MOJ · UniProt Q9ZVN4
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