MolNFT v1 · #92303 · protein

Crystal structure of murine nf-kappab inducing kinase (nik) bound to a 2-(AMINOTHIAZOLY)PHENOL (CMP2)

4G3F · Nf-kappa-beta-inducing kinase: “Crystal structure of murine nf-kappab inducing kinase (nik) bound to a 2-(AMINOTHIAZOLY)PHENOL (CMP2)”. X-ray diffraction, 1 ligand (0WB), 1 pocket (best druggability 0.71). MolNFT v1 #92303 on…

PDB: 4G3F
Type: protein
Length: 312 residues
Chains: 1
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: 0WB
Pockets: 1 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nf-kappa-beta-inducing kinase (EC 2.7.11.25)	protein	312	33% helix, 21% strand	Q9WUL6

Ligands and binding sites

0WB · 3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	250	0.71	0.86	47	0WB

Compared structures

4G3F · Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a… · 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 0.99

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 4G3F · PDBe 4G3F · UniProt Q9WUL6

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