5K0K

Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Tyrosine-protein kinase Mer	polymer	313	35889.4	2	UniProt (Q12866) Pfam (PF07714) In PDB	Homo sapiens (Human)	Proto-oncogene c-Mer,Receptor tyrosine kinase MerTK
2	A, B	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
3	A, B	15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one	non-polymer		461.6	2	Chemie (6Q1)
4	B	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5		water	water		18.0	28	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 552	-	initiating methionine
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	9
	Total formula weight	1160.2
All*	Total formula weight	72939.1

*Water molecules are not included.