4FOC: Human anaplastic lymphoma kinase

Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 2. Determined by X-ray diffraction at 1.7 Å resolution. Released 11 Jul 2012.

Method: X-ray diffraction
Resolution: 1.7 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,686
Mol. weight: 40.53 kDa
Ligands: 0UU
Released: 11 Jul 2012

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

Secondary structure: helices and β-sheets

4FOC contains 20 α-helices and 14 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, 14 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
α-helix	1144	1
β-strand	1145-1151	7	2
α-helix	1158-1173	16
β-strand	1179	1	3
β-strand	1182-1186	5	2
β-strand	1193-1197	5	2
β-strand	1202-1203	2	3
α-helix	1204-1210	7
β-strand	1214	1	4
β-strand	1217	1	4
α-helix	1223-1242	20
α-helix	1252-1254	3
β-strand	1255-1257	3	3
β-strand	1266-1268	3	3
α-helix	1272-1278	7
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	1395-1401	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
ALK tyrosine kinase receptor	A	protein	353	Homo sapiens	Q9UM73 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4FOC_1 ALK tyrosine kinase receptor (chains A)
VYRRKHQELQAMQMELQSPEYKLSKLRTSTIMTDYNPNYSFAGKTSSISDLKEVPRKNIT
LIRGLGHGAFGEVYEGQVSGMPNDPSPLQVAVKTLPEVCSEQDELDFLMEALIISKFNHQ
NIVRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRPSQPSSLAMLDLLHVARDIACGC
QYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYRASYYRKGGCAMLPVKWMP
PEAFMEGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRMDPPKNCPGP
VYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALPIEYGPLVEEEEK

Ligands and cofactors

ID	Name	Formula	Copies
0UU	methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cy…	C28 H34 N4 O3	1

Primary citation

The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer. Lewis, R.T., Bode, C.M., Choquette, D.M. et al. J Med Chem (2012) 55:6523-6540. DOI 10.1021/jm3005866 · 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…
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
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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