4MKC

Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378

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	367	41615.5	1	UniProt (Q9UM73) Pfam (PF07714) In PDB	Homo sapiens (human)	Anaplastic lymphoma kinase
2	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	A	5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine	non-polymer		558.1	1	Chemie (4MK)
4		water	water		18.0	175	Chemie (HOH)

Sequence modifications

A: 1072 - 1410 (UniProt: Q9UM73)

PDB	External Database	Details
Met 1044	-	expression tag
Ser 1045	-	expression tag
Tyr 1046	-	expression tag
Tyr 1047	-	expression tag
His 1048	-	expression tag
His 1049	-	expression tag
His 1050	-	expression tag
His 1051	-	expression tag
His 1052	-	expression tag
His 1053	-	expression tag
Asp 1054	-	expression tag
Tyr 1055	-	expression tag
Asp 1056	-	expression tag
Ile 1057	-	expression tag
Pro 1058	-	expression tag
Thr 1059	-	expression tag
Thr 1060	-	expression tag
Glu 1061	-	expression tag
Asn 1062	-	expression tag
Leu 1063	-	expression tag
Tyr 1064	-	expression tag
Phe 1065	-	expression tag
Gln 1066	-	expression tag
Gly 1067	-	expression tag
Ala 1068	-	expression tag
Met 1069	-	expression tag
Gly 1070	-	expression tag
Ser 1071	-	expression tag
Gly 1281	Ser 1281	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	41615.5
Non-Polymers*	Number of molecules	3
	Total formula weight	742.3
All*	Total formula weight	42357.8

*Water molecules are not included.