MolNFT v1 · #94005 · protein
Shp-1 catalytic domain wpd loop closed
4HJQ · Tyrosine-protein phosphatase non-receptor type 6: “Shp-1 catalytic domain wpd loop closed”. X-ray diffraction, 1 ligand (PO4), 4 pockets (best druggability 0.73). MolNFT v1 #94005 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4HJQ
- Type
- protein
- Length
- 562 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 6
- EC
- 3.1.3.48
- UniProt
- P29350
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tyrosine-protein phosphatase non-receptor type 6 (EC 3.1.3.48) | protein | 281 | 36% helix, 21% strand | P29350 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 855 | 0.73 | 0.77 | 86 | empty |
| 2 | 76 | 0.30 | 0.73 | 17 | empty |
| 3 | 51 | 0.30 | 0.76 | 13 | empty |
| 4 | 60 | 0.27 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 602 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
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 P29350
- Elsewhere: RCSB PDB 4HJQ · PDBe 4HJQ · UniProt P29350
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