MolNFT v1 · #38493 · protein
Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors
2H02 · Protein tyrosine phosphatase, receptor type, B,: “Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors”. X-ray diffraction, 1 ligand (2UN), 1 pocket (best druggability 0.27). MolNFT v1…
- PDB
- 2H02
- Type
- protein
- Length
- 561 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein tyrosine phosphatase, receptor type, B,
- EC
- 3.1.3.48
- UniProt
- Q3MIV7
- Ligands
- 2UN
- Pockets
- 1 · best druggability 0.27
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein tyrosine phosphatase, receptor type, B, (EC 3.1.3.48) | protein | 278 | 39% helix, 22% strand | Q3MIV7 |
| B | Protein tyrosine phosphatase, receptor type, B, (EC 3.1.3.48) | protein | 283 | 37% helix, 21% strand | Q3MIV7 |
Ligands and binding sites
- 2UN · {4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.27 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 100 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2H02 · Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q3MIV7
- Elsewhere: RCSB PDB 2H02 · PDBe 2H02 · UniProt Q3MIV7
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