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Human MST3 (STK24) kinase in complex with inhibitor MR39

Analyse Human MST3 (STK24) kinase in complex with inhibitor MR39 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 8BZI
Type: protein
Length: 267 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.72
Source: Homo sapiens
Molecule: Serine/threonine-protein kinase 24
EC: 2.7.11.1
UniProt: Q9Y6E0
Ligands: SJL
Pockets: 2 · best druggability 0.70

Structure

x-ray diffraction · resolution 1.72 · 1 distinct chain · 41% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serine/threonine-protein kinase 24 (EC 2.7.11.1)	protein	267	41% helix, 19% strand	Q9Y6E0

Ligands and binding sites

SJL · 8-(4-azanylbutyl)-6-[2,5-bis(fluoranyl)-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one · ligand · chains A
EDO · 1,2-ethanediol · additive · 3 copies · 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	273	0.70	0.84	33	SJL
2	76	0.44	0.80	17	empty

Compared structures

Q9Y6E0 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 24 (Q9Y6E0) · 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 Q9Y6E0
Elsewhere: RCSB PDB 8BZI · PDBe 8BZI · UniProt Q9Y6E0

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