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Mertk kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group

Analyse Mertk kinase domain with type 1.5 inhibitor containing a di-methyl, cyano… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7OLV
Type: protein
Length: 273 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine-protein kinase mer
EC: 2.7.10.1
UniProt: Q12866
Ligands: VK2, CL
Pockets: 1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase mer (EC 2.7.10.1)	protein	273	44% helix, 18% strand	Q12866

Ligands and binding sites

VK2 · 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl) amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile · ligand · chains A
CL · Chloride ion · ion · 4 copies · chains A
DMS · Dimethyl sulfoxide · additive · 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	352	0.64	0.79	46	VK2

Compared structures

7OLV · MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group · 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 Q12866
Elsewhere: RCSB PDB 7OLV · PDBe 7OLV · UniProt Q12866

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