MolNFT v1 · #105336 · protein

Identification and optimization of pyridazinones as potent and selective C-met kinase inhibitors

4R1V · Hepatocyte growth factor receptor: “Identification and optimization of pyridazinones as potent and selective C-met kinase inhibitors”. X-ray diffraction, 2 ligands (GBL, 3E8), 3 pockets (best druggability 0.63). MolNFT v1 #105336 on…

PDB: 4R1V
Type: protein
Length: 289 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hepatocyte growth factor receptor
EC: 2.7.10.1
UniProt: P08581
Ligands: GBL, 3E8
Pockets: 3 · best druggability 0.63

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hepatocyte growth factor receptor (EC 2.7.10.1)	protein	289	43% helix, 18% strand	P08581

Ligands and binding sites

GBL · Gamma-butyrolactone · ligand · 3 copies · chains A
3E8 · 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile · ligand · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	195	0.63	0.83	28	3E8
2	285	0.57	0.77	25	GBL
3	54	0.37	0.80	15	empty

Compared structures

4R1V · Identification and optimization of pyridazi s as potent and selective c-Met kinase… · 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 P08581
Elsewhere: RCSB PDB 4R1V · PDBe 4R1V · UniProt P08581

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