Research workbench
Human TYK2 pseudokinase domain (575-869) in complex with 5-(4-fluoro- phenyl)-2-ureido-thiophene-3-carboxylic acid amide.
Analyse Human TYK2 pseudokinase domain (575-869) in complex with 5-(4-fluoro… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AX4
- Type
- protein
- Length
- 522 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-receptor tyrosine-protein kinase TYK2
- EC
- 2.7.10.2
- UniProt
- P29597
- Ligands
- NM7, CA
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Non-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2) | protein | 261 | 41% helix, 20% strand | P29597 |
Ligands and binding sites
- NM7 · 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 451 | 0.70 | 0.81 | 56 | NM7 |
| 2 | 417 | 0.70 | 0.81 | 55 | NM7 |
| 3 | 92 | 0.39 | 0.77 | 21 | empty |
| 4 | 86 | 0.38 | 0.76 | 18 | empty |
| 5 | 105 | 0.37 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 324 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 7AX4 · Human TYK2 pseudokinase domain (575-869) 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 P29597
- Elsewhere: RCSB PDB 7AX4 · PDBe 7AX4 · UniProt P29597
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.