MolNFT v1 · #173537 · protein

MST3 in complex with MRIA7

7B32 · SERINE/THREONINE-protein kinase 24: “MST3 in complex with MRIA7”. X-ray diffraction, 1 ligand (SQQ), 3 pockets (best druggability 0.72). MolNFT v1 #173537 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7B32
Type: protein
Length: 264 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE-protein kinase 24
EC: 2.7.11.1
UniProt: Q9Y6E0
Ligands: SQQ
Pockets: 3 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE-protein kinase 24 (EC 2.7.11.1)	protein	264	42% helix, 17% strand	Q9Y6E0

Ligands and binding sites

SQQ · 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[(2-methoxyphenyl) amino]pyrido[2,3-d]pyrimidin-7-one · ligand · chains A

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

Pockets

3 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	246	0.72	0.86	35	SQQ
2	60	0.39	0.80	16	empty
3	64	0.34	0.77	18	empty

Compared structures

7B32 · MST3 in complex with MRIA7 · the same entry in another collection · chain A against A, TM-score 1.00
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 7B32 · PDBe 7B32 · UniProt Q9Y6E0

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