3TCP

Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC569

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	313	35889.4	2	UniProt (Q12866) Pfam (PF07714)	Homo sapiens (human)	Proto-oncogene c-Mer, Receptor tyrosine kinase MerTK
2	C, G (A, B)	1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine	non-polymer		396.5	2	Chemie (CKJ)
3	D, H, I (A, B)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	E, F, J (A, B)	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
5	K, L (A, B)	water	water		18.0	36	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 552	-	expression tag
Gly 553	-	expression tag
Ser 554	-	expression tag
Ser 555	-	expression tag
His 556	-	expression tag
His 557	-	expression tag
His 558	-	expression tag
His 559	-	expression tag
His 560	-	expression tag
His 561	-	expression tag
Ser 562	-	expression tag
Ser 563	-	expression tag
Gly 564	-	expression tag
Leu 565	-	expression tag
Val 566	-	expression tag
Pro 567	-	expression tag
Arg 568	-	expression tag
Gly 569	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71778.9
Non-Polymers*	Number of molecules	8
	Total formula weight	1019.6
All*	Total formula weight	72798.5

*Water molecules are not included.