7AW4

MerTK kinase domain with type 3 inhibitor from a DNA-encoded library

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	3-methyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-N-((R)-1-(((R)-3-(methylamino)-3-oxo-1-(4-(trifluoromethyl)phenyl)propyl)amino)-1-oxo-4-phenylbutan-2-yl)isoxazole-4-carboxamide	non-polymer		614.6	2	Chemie (S5E)
3	A, B	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
5		water	water		18.0	281	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	11
	Total formula weight	1708.0
All*	Total formula weight	73486.9

*Water molecules are not included.