MolNFT v1 · #104856 · protein

MST3 in complex with 2-(4,6-diamino-1,3,5-triazin-2-YL)PHENOL

4QNA · SERINE/THREONINE-protein kinase 24: “MST3 in complex with 2-(4,6-diamino-1,3,5-triazin-2-YL)PHENOL”. X-ray diffraction, 1 ligand (X11), 1 pocket (best druggability 0.67). MolNFT v1 #104856 on GenesisL1: 3D structure, binding sites…

PDB: 4QNA
Type: protein
Length: 285 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: Q6P0Y1
Ligands: X11
Pockets: 1 · best druggability 0.67

Structure

x-ray diffraction · 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	285	41% helix, 19% strand	Q6P0Y1

Ligands and binding sites

X11 · 2-(4,6-diamino-1,3,5-triazin-2-yl)phenol · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	325	0.67	0.81	27	X11

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

4QNA · MST3 IN COMPLEX WITH 2-(4,6-Diamino-1,3,5-triazin-2-yl)phenol · the same entry in another collection · chain A against A, TM-score 1.00

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 Q6P0Y1
Elsewhere: RCSB PDB 4QNA · PDBe 4QNA · UniProt Q6P0Y1

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