MolNFT v1 · #46899 · protein
Crystal structure of IRAK4 kinase domain apo form
2OIB · Interleukin-1 receptor-associated kinase 4: “Crystal structure of IRAK4 kinase domain apo form”. X-ray diffraction, 18 pockets (best druggability 0.81). MolNFT v1 #46899 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2OIB
- Type
- protein
- Length
- 1,135 residues
- Chains
- 4
- 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
- 18 · best druggability 0.81
Structure
x-ray diffraction · 4 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 | 283 | 44% helix, 17% strand | Q9NWZ3 |
| B | Interleukin-1 receptor-associated kinase 4 (EC 2.7.11.1) | protein | 280 | 42% helix, 17% strand | Q9NWZ3 |
| C | Interleukin-1 receptor-associated kinase 4 (EC 2.7.11.1) | protein | 281 | 42% helix, 16% strand | Q9NWZ3 |
| D | Interleukin-1 receptor-associated kinase 4 (EC 2.7.11.1) | protein | 291 | 41% helix, 17% strand | Q9NWZ3 |
Pockets
18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 458 | 0.81 | 0.89 | 59 | empty |
| 2 | 391 | 0.80 | 0.88 | 58 | empty |
| 3 | 822 | 0.74 | 0.78 | 58 | empty |
| 4 | 316 | 0.73 | 0.85 | 44 | empty |
| 5 | 168 | 0.69 | 0.88 | 27 | empty |
Interfaces
5 interfaces between chains.
- A–D · 636 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 586 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 572 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 556 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 236 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 modified (phosphorylation).
Compared structures
- 2OIB · Crystal structure of IRAK4 kinase domain apo form · the same entry in another collection · chain D against D, 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 B against A, TM-score 0.98
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 2OIB · PDBe 2OIB · UniProt Q9NWZ3
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