Research workbench
X-ray characterization of striatal-enriched protein tyrosine phosphatase inhibitors
Analyse X-ray characterization of striatal-enriched protein tyrosine phosphatase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5OVX
- Type
- protein
- Length
- 287 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 5
- EC
- 3.1.3.48
- UniProt
- P54829
- Ligands
- AY5
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase non-receptor type 5 (EC 3.1.3.48) | protein | 287 | 40% helix, 21% strand | P54829 |
Ligands and binding sites
- AY5 · [(~{S})-[4-[3-[(~{S})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 177 | 0.51 | 0.78 | 23 | empty |
| 2 | 68 | 0.32 | 0.75 | 16 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 5OVX · X-Ray Characterization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors · the same entry in another collection · chain A against A, TM-score 1.00
- P54829 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase non-receptor type 5… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P54829
- Elsewhere: RCSB PDB 5OVX · PDBe 5OVX · UniProt P54829
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