8ARJ: ALK tyrosine kinase receptor

Anaplastic Lymphoma Kinase with a novel carboline inhibitor. Determined by X-ray diffraction at 1.65 Å resolution. Released 14 Sept 2022.

Method: X-ray diffraction
Resolution: 1.65 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,221
Mol. weight: 36.46 kDa
Ligands: NRR
Released: 14 Sept 2022

Explore 8ARJ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8ARJ contains 20 α-helices and 10 β-strands across 1 chain. 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: 20 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	1109	1
β-strand	1110	1	1
α-helix	1111-1112	2
α-helix	1113-1115	3
β-strand	1117-1123	7	1
β-strand	1130-1134	5	1
β-strand	1146-1152	7	1
α-helix	1158-1172	15
β-strand	1179	1	2
α-helix	1180-1181	2
β-strand	1182-1186	5	1
β-strand	1192-1196	5	1
β-strand	1202-1203	2	2
α-helix	1204-1210	7
α-helix	1223-1242	20
α-helix	1252-1254	3
β-strand	1255-1257	3	2
β-strand	1266-1268	3	2
α-helix	1273-1276	4
α-helix	1293-1295	3
α-helix	1298-1303	6
α-helix	1308-1323	16
α-helix	1327-1328	2
α-helix	1335-1343	9
α-helix	1348-1351	4
α-helix	1356-1365	10
α-helix	1370-1372	3
α-helix	1376-1388	13
α-helix	1390-1393	4
α-helix	1395-1398	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
ALK tyrosine kinase receptor	A	protein	321	Homo sapiens	Q9UM73 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8ARJ_1 ALK tyrosine kinase receptor (chains A)
GSNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVK
TLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLPRFILLELMAGGDLKSFLRE
TRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGD
FGMARDIYRASYYRKGGCAMLPVKWMPPEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPY
PSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDP
DVINTALPIEYGPLVEEEEKV

Ligands and cofactors

ID	Name	Formula	Copies
NRR	3-(dimethylamino)-1-[3-[4-(4-methylpiperazin-1-yl)phenyl]-9~{H}-pyrido[2,3-b]in…	C27 H29 N5 O	1

Primary citation

Discovery of Novel alpha-Carboline Inhibitors of the Anaplastic Lymphoma Kinase. Mologni, L., Tardy, S., Zambon, A. et al. ACS Omega (2022) 7:17083-17097. DOI 10.1021/acsomega.2c00507 · PubMed

Other PDB entries of the same protein (UniProt Q9UM73 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7MZY 1.5 Å, Anaplastic lymphoma kinase (ALK) extracellular fragment of ligand binding region 673-986
4Z55 1.55 Å, Anaplastic lymphoma kinase catalytic domain complexed with pyrazolopyrimidine derivative…
9GBE 1.58 Å, Structure of Human Anaplastic Lymphoma Kinase (ALK) harboring the G1202R/L1196M Compound…
5A9U 1.6 Å, Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922…
4CLJ 1.66 Å, Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922…
2YFX 1.7 Å, Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
4ANL 1.7 Å, Structure of G1269A Mutant Anaplastic Lymphoma Kinase
4FNX 1.7 Å, Crystal structure of the apo R1275Q anaplastic lymphoma kinase catalytic domain
4FOC 1.7 Å, Crystal structure of human anaplastic lymphoma kinase in complex with…
5AAC 1.7 Å, Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib
5FTQ 1.7 Å, Crystal structure of the ALK kinase domain in complex with Cmpd 17
4CMT 1.73 Å, Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor…

Browse structure collections

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