MolNFT v1 · #173322 · protein

Mertk kinase domain with type 1.5 inhibitor from a DNA-encoded library

7AW2 · Tyrosine-protein kinase mer: “Mertk kinase domain with type 1.5 inhibitor from a DNA-encoded library”. X-ray diffraction, 1 ligand (S4W), 1 pocket (best druggability 0.66). MolNFT v1 #173322 on GenesisL1: 3D structure, binding sites…

PDB: 7AW2
Type: protein
Length: 270 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: S4W
Pockets: 1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase mer (EC 2.7.10.1)	protein	270	43% helix, 16% strand	Q12866

Ligands and binding sites

S4W · 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine · 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	299	0.66	0.81	39	S4W

Compared structures

7AW2 · MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library · 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 7AW2 · PDBe 7AW2 · UniProt Q12866

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.