Structure of PDB 4joa Chain A

Receptor sequence

>4joaA (length=250) Species: 9606 (Homo sapiens)

DLKEVPRKNITLIRGLGVYEGQVSLQVAVKTLPDFLMEALIISKFNHQNI
VRCIGVSLQSLPRFILLELMAGGDLKSFLRETRPRLAMLDLLHVARDIAC
GCQYLEENHFIHRDIAARNCLLTCPGPGRVAKIGDFGMARDIYAMLPVKW
MPPEAGIFTSKTDTWSFGVLLWEIFSLGYMPYPSKSNQEVLEFVTSGGRM
DPPKNCPGPVYRIMTQCWQHQPEDRPNFAIILERIEYCTQDPDVINTALP

3D structure

• PDB: 4joa Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode
• Chain: A
• Resolution: 2.7 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D1249 A1251 R1253 N1254 D1270
• Catalytic site (residue number reindexed from 1): D114 A116 R118 N119 D135
• Enzyme Commision number: 2.7.10.1: receptor protein-tyrosine kinase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	3DK	A	A1148 E1167 I1171 I1194 L1196 E1197 M1199 L1256 G1269	A28 E38 I42 I65 L67 E68 M70 L121 G134	PDBbind-CN: -logKd/Ki=7.54,IC50=29nM BindingDB: IC50=29nM

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0004713 protein tyrosine kinase activity
• GO:0004714 transmembrane receptor protein tyrosine kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation
• GO:0007169 cell surface receptor protein tyrosine kinase signaling pathway

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4joa, PDBe:4joa, PDBj:4joa
• PDBsum: 4joa
• PubMed: 23880539
• UniProt: Q9UM73|ALK_HUMAN ALK tyrosine kinase receptor (Gene Name=ALK)