5U6C

Crystal structure of the Mer kinase domain in complex with a macrocyclic inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Tyrosine-protein kinase Mer	polymer	315	36235.7	2	UniProt (Q12866) Pfam (PF07714)	Homo sapiens (Human)	Proto-oncogene c-Mer,Receptor tyrosine kinase MerTK
2	C, D (A, B)	(10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one	non-polymer		460.9	2	Chemie (7YS)
3	E, F (A, B)	water	water		18.0	174	Chemie (HOH)

Sequence modifications

A, B: 570 - 864 (UniProt: Q12866)

PDB	External Database	Details
Met 550	-	initiating methionine
Gly 551	-	expression tag
Ser 552	-	expression tag
Ser 553	-	expression tag
His 554	-	expression tag
His 555	-	expression tag
His 556	-	expression tag
His 557	-	expression tag
His 558	-	expression tag
His 559	-	expression tag
Ser 560	-	expression tag
Ser 561	-	expression tag
Gly 562	-	expression tag
Glu 563	-	expression tag
Asn 564	-	expression tag
Leu 565	-	expression tag
Tyr 566	-	expression tag
Phe 567	-	expression tag
Gln 568	-	expression tag
Gly 569	-	expression tag
Met 650	Ile 650	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	72471.4
Non-Polymers*	Number of molecules	2
	Total formula weight	921.8
All*	Total formula weight	73393.2

*Water molecules are not included.