Het-PDB Navi2 (PDB: 4DCE)

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Ligands
Code	Name		Style	Show	Link
0JF	(3s)-N-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide				PoSSuM

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Download interaction data: 4DCE

Code :

4DCE PDBj RCSB PDB PDBe

Header :

Transferase/Inhibitor

Title :

Crystal structure of human anaplastic lymphoma kinase in complex with a piperidine-carboxamide inhibitor

Release Data :

2012-02-08

Compound :

mol_id	molecule	chains	synonym
1	ALK tyrosine kinase receptor	A,B	Anaplastic lymphoma kinase
	ec: 2.7.10.1 fragment: Kinase domain, unp residues 1078-1410 mutation: C1097S

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Spodoptera frugiperda (taxid:7108)
	gene: ALK expression_system_vector_type: virus expression_system_plasmid: pFastBac1

Authors :

Whittington, D.A., Epstein, L.F., Chen, H.

Keywords :

receptor tyrosine kinase, inhibitor, NPM-ALK, EML4-ALK, Transferase-Inhibitor complex

Exp. method :

X-RAY DIFFRACTION ( 2.03 Å )

Citation :

Rapid development of piperidine carboxamides as potent and selective anaplastic lymphoma kinase inhibitors.

Bryan, M.C.,Whittington, D.A.,Doherty, E.M. et al.
(2012) J.Med.Chem. 55 : 1698 - 1705

Chain :

A, B

UniProt :

Q9UM73 (ALK_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H(+)	2.7.10.1	PROSITE-ProRule:PRU10028, PubMed:30061385, PubMed:34819673
	-	PROSITE-ProRule:PRU10028, PubMed:30061385, PubMed:34819673

PDB ID: 4DCE