MolNFT v1 · #46591 · protein
Apo IRAK4 kinase domain
2O8Y · Interleukin-1 receptor-associated kinase 4: “Apo IRAK4 kinase domain”. X-ray diffraction, 5 pockets (best druggability 0.69). MolNFT v1 #46591 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2O8Y
- Type
- protein
- Length
- 557 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
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Interleukin-1 receptor-associated kinase 4 (EC 2.7.11.1) | protein | 280 | 43% helix, 17% strand | Q9NWZ3 |
| B | Interleukin-1 receptor-associated kinase 4 (EC 2.7.11.1) | protein | 277 | 42% helix, 16% strand | Q9NWZ3 |
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 | 762 | 0.69 | 0.76 | 48 | empty |
| 2 | 381 | 0.66 | 0.80 | 40 | empty |
| 3 | 288 | 0.65 | 0.81 | 37 | empty |
| 4 | 62 | 0.31 | 0.75 | 20 | empty |
| 5 | 56 | 0.27 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 602 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 modified (engineered, phosphorylation).
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 Q9NWZ3
- Elsewhere: RCSB PDB 2O8Y · PDBe 2O8Y · UniProt Q9NWZ3
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