Research workbench
Crystal structure of SHP2 E76K gof mutant in the open conformation
Analyse Crystal structure of SHP2 E76K gof mutant in the open conformation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6CRF
- Type
- protein
- Length
- 926 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 11
- EC
- 3.1.3.48
- UniProt
- Q06124
- Pockets
- 16 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase non-receptor type 11 (EC 3.1.3.48) | protein | 475 | 29% helix, 23% strand | Q06124 |
| B | Tyrosine-protein phosphatase non-receptor type 11 (EC 3.1.3.48) | protein | 451 | 33% helix, 22% strand | Q06124 |
Ligands and binding sites
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 734 | 0.72 | 0.78 | 78 | empty |
| 2 | 171 | 0.64 | 0.85 | 31 | empty |
| 3 | 169 | 0.59 | 0.83 | 28 | empty |
| 4 | 324 | 0.58 | 0.76 | 42 | empty |
| 5 | 223 | 0.55 | 0.78 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 563 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6CRF · Crystal Structure of Shp2 E76K GOF Mutant in the Open Conformation · 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 Q06124
- Elsewhere: RCSB PDB 6CRF · PDBe 6CRF · UniProt Q06124
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