4Z55: Anaplastic lymphoma kinase catalytic domain

Anaplastic lymphoma kinase catalytic domain complexed with pyrazolopyrimidine derivative of LDK378. Determined by X-ray diffraction at 1.55 Å resolution. Released 3 Feb 2016.

Method: X-ray diffraction
Resolution: 1.55 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,562
Mol. weight: 39 kDa
Ligands: 4LO
Released: 3 Feb 2016

Explore 4Z55 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4Z55 contains 20 α-helices and 12 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, 12 β-strands

Element	Residues	Length	Sheet
β-strand	1096-1098	3	1
β-strand	1101-1103	3	1
α-helix	1105-1107	3
β-strand	1110	1	2
α-helix	1111-1112	2
α-helix	1113-1115	3
β-strand	1116-1124	9	2
β-strand	1129-1135	7	2
β-strand	1145-1152	8	2
α-helix	1158-1173	16
β-strand	1179	1	3
β-strand	1182-1186	5	2
β-strand	1192-1197	6	2
β-strand	1203	1	3
α-helix	1204-1211	8
α-helix	1223-1242	20
α-helix	1252-1254	3
β-strand	1255-1257	3	3
β-strand	1266-1268	3	3
α-helix	1272-1280	9
α-helix	1288-1290	3
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	339	Homo sapiens	Q9UM73 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4Z55_1 ALK tyrosine kinase receptor (chains A)
ELQSPEYKLSKLRTSTIMTDYNPNYCFAGKTSSISDLKEVPRKNITLIRGLGHGAFGEVY
EGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQNIVRCIGVSLQSLP
RFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGCQYLEENHFIHRDIA
ARNCLLTCPGPGRVAKIGDFGMARDIYRAGYYRKGGCAMLPVKWMPPEAFMEGIFTSKTD
TWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGPVYRIMTQCWQHQPE
DRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEK

Ligands and cofactors

ID	Name	Formula	Copies
4LO	N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(pr…	C30 H39 N7 O3 S	1

Water and common crystallization additives (GOL) are not listed.

Primary citation

Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors. Michellys, P.Y., Chen, B., Jiang, T. et al. Bioorg Med Chem Lett (2016) 26:1090-1096. DOI 10.1016/j.bmcl.2015.11.049 · 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
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…
8ARJ 1.65 Å, Anaplastic Lymphoma Kinase with a novel carboline inhibitor
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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