MolNFT v1 · #151952 · protein

Human STK10 bound to foretinib

6I2Y · SERINE/THREONINE-protein kinase 10: “Human STK10 bound to foretinib”. X-ray diffraction, 1 ligand (88Z), 4 pockets (best druggability 0.78). MolNFT v1 #151952 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6I2Y
Type: protein
Length: 556 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE-protein kinase 10
EC: 2.7.11.1
UniProt: O94804
Ligands: 88Z
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE-protein kinase 10 (EC 2.7.11.1)	protein	279	42% helix, 17% strand	O94804
B	SERINE/THREONINE-protein kinase 10 (EC 2.7.11.1)	protein	277	41% helix, 15% strand	O94804

Ligands and binding sites

88Z · N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy) quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl) cyclopropane-1,1-dicarboxamide · ligand · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	598	0.78	0.84	63	88Z
2	465	0.76	0.84	48	88Z
3	315	0.56	0.76	48	empty
4	51	0.30	0.76	11	empty

Interfaces

1 interface between chains.

A–B · 1551 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

6I2Y · Human STK10 bound to Foretinib · the same entry in another collection · chain A against A, TM-score 1.00
O94804 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 10 (O94804) · a predicted model of the same protein · chain A against A, TM-score 0.92

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 O94804
Elsewhere: RCSB PDB 6I2Y · PDBe 6I2Y · UniProt O94804

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