MolNFT v1 · #150943 · protein
Crystal structure of the mouse protein tyrosine phosphatase PTPN5 (step) in complex with compound bi-0314
6H8S · Tyrosine-protein phosphatase non-receptor type 5: “Crystal structure of the mouse protein tyrosine phosphatase PTPN5 (step) in complex with compound bi-0314”. X-ray diffraction, 1 ligand (FSZ), 2 pockets (best druggability 0.51).…
- PDB
- 6H8S
- Type
- protein
- Length
- 291 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
- P54830
- Ligands
- FSZ
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase non-receptor type 5 (EC 3.1.3.48) | protein | 291 | 42% helix, 19% strand | P54830 |
Ligands and binding sites
- FSZ · 1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine · 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 | 144 | 0.51 | 0.79 | 24 | FSZ |
| 2 | 66 | 0.35 | 0.78 | 17 | empty |
Compared structures
- 6H8S · Crystal structure of the mouse protein tyrosine phosphatase PTPN5 (step) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P54830 · 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 0.96
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 P54830
- Elsewhere: RCSB PDB 6H8S · PDBe 6H8S · UniProt P54830
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.