MolNFT v1 · #182360 · protein
Crystal structure of arabidopsis thaliana plant and fungi atypical dual specificity phosphatase 1(ATPFA-DSP1 ) CYS150SER in complex with 5-PCF2 am-INSP5, an analogue of 5-INSP7
7MOG · Tyrosine-protein phosphatase DSP1: “Crystal structure of arabidopsis thaliana plant and fungi atypical dual specificity phosphatase 1(ATPFA-DSP1…”. X-ray diffraction, 1 ligand (KDJ), 3 pockets (best druggability 0.47). MolNFT v1…
- PDB
- 7MOG
- Type
- protein
- Length
- 307 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
- KDJ
- Pockets
- 3 · best druggability 0.47
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 | 152 | 45% helix, 14% strand | Q9ZVN4 |
Ligands and binding sites
- KDJ · (1,1-difluoro-2-oxo-2-{[(1S,2R,3S,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl) phosphonic acid · ligand · 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 | 95 | 0.47 | 0.80 | 18 | KDJ |
| 2 | 68 | 0.38 | 0.78 | 16 | KDJ |
| 3 | 50 | 0.36 | 0.80 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1143 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 7MOG · 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 B against A, TM-score 0.98
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 7MOG · PDBe 7MOG · UniProt Q9ZVN4
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