MolNFT v1 · #143977 · protein
Crystal structure of human IRAK1
6BFN · Interleukin-1 receptor-associated kinase 1: “Crystal structure of human IRAK1”. X-ray diffraction, 1 ligand (DL1), 10 pockets (best druggability 0.73). MolNFT v1 #143977 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6BFN
- Type
- protein
- Length
- 595 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Interleukin-1 receptor-associated kinase 1
- EC
- 2.7.11.1
- UniProt
- P51617
- Ligands
- DL1
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Interleukin-1 receptor-associated kinase 1 (EC 2.7.11.1) | protein | 301 | 46% helix, 18% strand | P51617 |
| B | Interleukin-1 receptor-associated kinase 1 (EC 2.7.11.1) | protein | 294 | 46% helix, 17% strand | P51617 |
Ligands and binding sites
- DL1 · N-[2-methoxy-4-(morpholin-4-yl)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide · ligand · 2 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 | 595 | 0.73 | 0.81 | 69 | empty |
| 2 | 197 | 0.70 | 0.87 | 25 | DL1 |
| 3 | 308 | 0.67 | 0.82 | 42 | DL1 |
| 4 | 216 | 0.51 | 0.76 | 33 | empty |
| 5 | 56 | 0.37 | 0.80 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1612 Ų buried · 23 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 P51617
- Elsewhere: RCSB PDB 6BFN · PDBe 6BFN · UniProt P51617
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