MolNFT v1 · #114784 · protein
Crystal structure of kinase
5C03 · Non-receptor tyrosine-protein kinase TYK2: “Crystal structure of kinase”. X-ray diffraction, 2 ligands (AGS, MG), 5 pockets (best druggability 0.67). MolNFT v1 #114784 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5C03
- Type
- protein
- Length
- 520 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
- AGS, MG
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2) | protein | 260 | 41% helix, 20% strand | P29597 |
| B | Non-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2) | protein | 260 | 41% helix, 20% strand | P29597 |
Ligands and binding sites
- AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 303 | 0.67 | 0.82 | 37 | AGS, MG, EDO |
| 2 | 373 | 0.67 | 0.80 | 42 | AGS, MG, EDO |
| 3 | 89 | 0.54 | 0.84 | 18 | empty |
| 4 | 96 | 0.47 | 0.80 | 21 | empty |
| 5 | 140 | 0.39 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 324 Ų buried · 8 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 P29597
- Elsewhere: RCSB PDB 5C03 · PDBe 5C03 · UniProt P29597
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