9BHK

MerTK in complex with small molecule inhibitor 6-{1-[6-(3-hydroxy-3-methylbutoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl}-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Tyrosine-protein kinase Mer	polymer	323	37407.0	1	UniProt (Q12866) In PDB	Homo sapiens (human)	Proto-oncogene c-Mer,Receptor tyrosine kinase MerTK
2	A	6-{1-[6-(3-hydroxy-3-methylbutoxy)-1,3-benzoxazol-2-yl]azetidin-3-yl}-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide	non-polymer		492.5	1	Chemie (A1APH)
3	A	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
4		water	water		18.0	170	Chemie (HOH)

Sequence modifications

A: 578 - 872 (UniProt: Q12866)

PDB	External Database	Details
Met 550	-	expression tag
Ser 551	-	expression tag
Tyr 552	-	expression tag
Tyr 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
Asp 560	-	expression tag
Tyr 561	-	expression tag
Asp 562	-	expression tag
Ile 563	-	expression tag
Pro 564	-	expression tag
Thr 565	-	expression tag
Thr 566	-	expression tag
Glu 567	-	expression tag
Asn 568	-	expression tag
Leu 569	-	expression tag
Tyr 570	-	expression tag
Phe 571	-	expression tag
Gln 572	-	expression tag
Gly 573	-	expression tag
Ala 574	-	expression tag
Met 575	-	expression tag
Asp 576	-	expression tag
Pro 577	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37407.0
Non-Polymers*	Number of molecules	5
	Total formula weight	634.3
All*	Total formula weight	38041.4

*Water molecules are not included.