MolNFT v1 · #124162 · protein
IRAK4 in complex with compound 21
5K72: “IRAK4 in complex with compound 21”. X-ray diffraction, 2 ligands (6QY, SO4). MolNFT v1 #124162 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5K72
- Type
- protein
- Length
- 1,103 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q9NWZ3
- Ligands
- 6QY, SO4
Structure
x-ray diffraction · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 279 | — | Q9NWZ3 |
| B | — | protein | 267 | — | Q9NWZ3 |
| C | — | protein | 279 | — | Q9NWZ3 |
| D | — | protein | 278 | — | Q9NWZ3 |
Ligands and binding sites
- 6QY · ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 5 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5K72 · IRAK4 in complex with Compound 21 · the same entry in another collection · chain C against C, TM-score 1.00
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 5K72 · PDBe 5K72 · UniProt Q9NWZ3
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