MolNFT v1 · #163103 · protein

TBK1 in complex with inhibitor compound 35

6RSU: “TBK1 in complex with inhibitor compound 35”. X-ray diffraction, 1 ligand (KJB). MolNFT v1 #163103 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6RSU
Type: protein
Length: 628 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q9UHD2
Ligands: KJB

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	628	—	Q9UHD2

Ligands and binding sites

KJB · 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one · ligand · chains A

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

Compared structures

6RSU · TBK1 in complex with Inhibitor compound 35 · 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 0.97

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 6RSU · PDBe 6RSU · UniProt Q9UHD2

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