Research workbench

MST3 in complex with compound MRIA13

Analyse MST3 in complex with compound MRIA13 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7B35
Type: protein
Length: 528 residues
Chains: 2
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: SQB
Pockets: 6 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	SERINE/THREONINE-protein kinase 24 (EC 2.7.11.1)	protein	264	43% helix, 18% strand	Q9Y6E0

Ligands and binding sites

SQB · 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one · ligand · 2 copies · chains A, B

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

Pockets

6 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	266	0.72	0.86	36	SQB
2	241	0.69	0.85	35	SQB
3	542	0.68	0.78	57	empty
4	273	0.57	0.78	39	empty
5	97	0.41	0.77	24	empty

Interfaces

1 interface between chains.

A–B · 488 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

7B35 · MST3 in complex with compound MRIA13 · 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 7B35 · PDBe 7B35 · UniProt Q9Y6E0

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