Research workbench
Sulphur anomalous crystal structure of asymmetric IRAK4 dimer
Analyse Sulphur anomalous crystal structure of asymmetric IRAK4 dimer in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4U9A
- Type
- protein
- Length
- 542 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Interleukin-1 receptor-associated kinase 4
- EC
- 2.7.11.1
- UniProt
- Q9NWZ3
- Ligands
- STU, SO4
- Pockets
- 10 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Interleukin-1 receptor-associated kinase 4 (EC 2.7.11.1) | protein | 272 | 39% helix, 17% strand | Q9NWZ3 |
| B | Interleukin-1 receptor-associated kinase 4 (EC 2.7.11.1) | protein | 270 | 39% helix, 16% strand | Q9NWZ3 |
Ligands and binding sites
- STU · Staurosporine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 203 | 0.71 | 0.87 | 28 | empty |
| 2 | 58 | 0.70 | 0.97 | 22 | empty |
| 3 | 286 | 0.67 | 0.83 | 33 | STU |
| 4 | 287 | 0.65 | 0.81 | 37 | STU |
| 5 | 78 | 0.44 | 0.80 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1266 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4U9A · Sulphur Anomalous Crystal Structure of Asymmetric IRAK4 Dimer · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NWZ3 · AlphaFold monomer V2.0 prediction for interleukin-1 receptor- associated kinase 4 (Q9NWZ3) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9NWZ3
- Elsewhere: RCSB PDB 4U9A · PDBe 4U9A · UniProt Q9NWZ3
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