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TBK1 co-crystal structure with amlexanox

Analyse TBK1 co-crystal structure with amlexanox in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5W5V
Type: protein
Length: 599 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE-protein kinase TBK1
EC: 2.7.11.1
UniProt: Q9UHD2
Ligands: ANW
Pockets: 8 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE-protein kinase TBK1 (EC 2.7.11.1)	protein	599	53% helix, 14% strand	Q9UHD2

Ligands and binding sites

ANW · 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid · ligand · chains A

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

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	534	0.71	0.80	53	empty
2	145	0.54	0.80	19	empty
3	171	0.52	0.78	22	ANW
4	108	0.51	0.82	20	empty
5	245	0.48	0.73	27	empty

Compared structures

5W5V · TBK1 co-crystal structure with amlexanox · the same entry in another collection · chain A against A, TM-score 1.00
Q9UHD2 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase TBK1 (Q9UHD2) · 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 Q9UHD2
Elsewhere: RCSB PDB 5W5V · PDBe 5W5V · UniProt Q9UHD2

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