MolNFT v1 · #87195 · protein

TTBK1 in complex with inhibitor

4BTK · Tau-tubulin kinase 1: “TTBK1 in complex with inhibitor”. X-ray diffraction, 1 ligand (DTQ), 2 pockets (best druggability 0.63). MolNFT v1 #87195 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4BTK
Type: protein
Length: 287 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tau-tubulin kinase 1
EC: 2.7.11.1, 2.7.11.26
UniProt: Q5TCY1
Ligands: DTQ
Pockets: 2 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tau-tubulin kinase 1 (EC 2.7.11.1, 2.7.11.26)	protein	287	34% helix, 17% strand	Q5TCY1

Ligands and binding sites

DTQ · 4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline · ligand · chains A
DMS · Dimethyl sulfoxide · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	220	0.63	0.82	35	DTQ
2	66	0.29	0.74	19	empty

Compared structures

4BTK · TTBK1 in complex with inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
Q5TCY1 · AlphaFold monomer V2.0 prediction for tau-tubulin kinase 1 (Q5TCY1) · 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 Q5TCY1
Elsewhere: RCSB PDB 4BTK · PDBe 4BTK · UniProt Q5TCY1

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