MolNFT v1 · #179834 · protein

Crystal structure of kit kinase domain with a small molecule inhibitor, PLX3397

7KHG · MAST/STEM cell growth factor receptor kit: “Crystal structure of kit kinase domain with a small molecule inhibitor, PLX3397”. X-ray diffraction, 1 ligand (P31), 2 pockets (best druggability 0.74). MolNFT v1 #179834 on GenesisL1: 3D…

PDB: 7KHG
Type: protein
Length: 327 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MAST/STEM cell growth factor receptor kit
EC: 2.7.10.1
Ligands: P31
Pockets: 2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	MAST/STEM cell growth factor receptor kit (EC 2.7.10.1)	protein	327	40% helix, 20% strand	—

Ligands and binding sites

P31 · 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	284	0.74	0.87	50	P31
2	76	0.33	0.75	20	empty

Compared structures

7KHG · Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX3397 · 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
Elsewhere: RCSB PDB 7KHG · PDBe 7KHG

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