6GQM: Human c-KIT kinase domain

Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229. Determined by X-ray diffraction at 2.0 Å resolution. Released 19 Sept 2018.

Method: X-ray diffraction
Resolution: 2.0 Å
Chains: 2
Atoms: 4,972
Mol. weight: 75.7 kDa
Released: 19 Sept 2018

Explore 6GQM in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6GQM contains 40 α-helices and 30 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 21 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	573-575	3
α-helix	577-579	3
α-helix	580-582	3
β-strand	583	1	1
α-helix	586-588	3
β-strand	589-597	9	1
β-strand	601-609	9	1
β-strand	612	1	2
β-strand	617-625	9	1
α-helix	631-647	17
β-strand	653	1	3
α-helix	654-655	2
β-strand	656-660	5	1
β-strand	667-671	5	1
β-strand	676-677	2	3
α-helix	678-685	8
α-helix	686-688	3
β-strand	690	1	4
β-strand	765	1	4
α-helix	766-785	20
α-helix	795-797	3
β-strand	798-801	4	3
β-strand	805-808	4	3
α-helix	812-814	3
β-strand	824-826	3	5
β-strand	829-831	3	5
α-helix	833-835	3
α-helix	838-843	6
α-helix	848-863	16
α-helix	867-868	2
α-helix	877-884	8
α-helix	889-892	4
α-helix	897-906	10
α-helix	911-913	3
α-helix	915-916	2
α-helix	917-930	14

Chain B: 19 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	580-582	3
β-strand	583	1	6
α-helix	586-588	3
β-strand	589-597	9	6
β-strand	601-609	9	6
β-strand	612	1	2
β-strand	617-625	9	6
α-helix	631-647	17
β-strand	653	1	7
α-helix	654-655	2
β-strand	656-660	5	6
β-strand	667-671	5	6
β-strand	676-677	2	7
α-helix	678-685	8
β-strand	689-690	2	8
β-strand	764-765	2	8
α-helix	766-785	20
α-helix	795-797	3
β-strand	798-801	4	7
α-helix	802-804	3
β-strand	805-808	4	7
α-helix	812-814	3
β-strand	824-826	3	9
β-strand	829-831	3	9
α-helix	833-835	3
α-helix	838-843	6
α-helix	848-863	16
α-helix	867-868	2
α-helix	877-884	8
α-helix	889-892	4
α-helix	897-906	10
α-helix	911-913	3
α-helix	915-916	2
α-helix	917-930	14

Primary citation

Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. Kettle, J.G., Anjum, R., Barry, E. et al. J Med Chem (2018) 61:8797-8810. DOI 10.1021/acs.jmedchem.8b00938 · PubMed

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