4CD0

Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2- yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propane-1,2-diol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	ALK TYROSINE KINASE RECEPTOR	polymer	342	38614.2	1	UniProt (Q9UM73) Pfam (PF07714) In PDB	HOMO SAPIENS (HUMAN)	ANAPLASTIC LYMPHOMA KINASE, CD246
2	A	(2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol	non-polymer		472.5	1	Chemie (AWJ)
3		water	water		18.0	174	Chemie (HOH)

Sequence modifications

A: 1093 - 1411 (UniProt: Q9UM73)

PDB	External Database	Details
Met 1070	-	expression tag
Ala 1071	-	expression tag
His 1072	-	expression tag
His 1073	-	expression tag
His 1074	-	expression tag
His 1075	-	expression tag
His 1076	-	expression tag
His 1077	-	expression tag
Asp 1078	-	expression tag
Tyr 1079	-	expression tag
Gly 1080	-	expression tag
Ile 1081	-	expression tag
Pro 1082	-	expression tag
Thr 1083	-	expression tag
Thr 1084	-	expression tag
Glu 1085	-	expression tag
Asn 1086	-	expression tag
Leu 1087	-	expression tag
Tyr 1088	-	expression tag
Phe 1089	-	expression tag
Gln 1090	-	expression tag
Gly 1091	-	expression tag
Ser 1092	-	expression tag
Met 1196	Leu 1196	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	38614.2
Non-Polymers*	Number of molecules	1
	Total formula weight	472.5
All*	Total formula weight	39086.7

*Water molecules are not included.