MolNFT v1 · #92300 · protein
Crystal structure of apo murine nf-kappab inducing kinase (nik)
4G3C · Nf-kappa-beta-inducing kinase: “Crystal structure of apo murine nf-kappab inducing kinase (nik)”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.82). MolNFT v1 #92300 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4G3C
- Type
- protein
- Length
- 642 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nf-kappa-beta-inducing kinase
- EC
- 2.7.11.25
- UniProt
- Q9WUL6
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nf-kappa-beta-inducing kinase (EC 2.7.11.25) | protein | 315 | 38% helix, 17% strand | Q9WUL6 |
| B | Nf-kappa-beta-inducing kinase (EC 2.7.11.25) | protein | 327 | 35% helix, 17% strand | Q9WUL6 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1013 | 0.82 | 0.83 | 117 | SO4 |
| 2 | 234 | 0.66 | 0.83 | 37 | SO4 |
| 3 | 93 | 0.50 | 0.82 | 20 | empty |
| 4 | 133 | 0.49 | 0.79 | 22 | empty |
| 5 | 86 | 0.37 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1358 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4G3C · Crystal structure of apo murine Nf-kappaB inducing kinase (NIK) · the same entry in another collection · chain A against A, TM-score 1.00
- Q9WUL6 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase 14… · a predicted model of the same protein · chain A 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 Q9WUL6
- Elsewhere: RCSB PDB 4G3C · PDBe 4G3C · UniProt Q9WUL6
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