Research workbench
Crystal structure of PTPN11 tandem SH2 domains in complex with a txnip peptide
Analyse Crystal structure of PTPN11 tandem SH2 domains in complex with a txnip peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5DF6
- Type
- protein
- Length
- 230 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 11; Txnip
- EC
- 3.1.3.48
- UniProt
- Q06124
- Ligands
- UNX, NH2
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 3 distinct chains · 18% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase non-receptor type 11 (EC 3.1.3.48) | protein | 212 | 20% helix, 29% strand | Q06124 |
| B | Txnip | protein | 6 | 0% helix, 33% strand | — |
| C | Txnip | protein | 12 | 0% helix, 8% strand | — |
Ligands and binding sites
- UNX · Unknown atom or ion · ion · 7 copies · chains A, B
- NH2 · Amino group · ion · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 270 | 0.54 | 0.76 | 24 | UNX |
Interfaces
2 interfaces between chains.
- A–C · 570 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 537 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 5DF6 · Crystal structure of PTPN11 tandem SH2 domains in complex with a TXNIP peptide · 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 5DF6 · PDBe 5DF6 · UniProt Q06124
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