9YSQ

Structure of a human NUAK1-MARK3 kinase domain chimera in complex with inhibitor

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, B (A, B)	MAP/microtubule affinity-regulating kinase 3	polymer	328	37872.8	2	UniProt (P27448)	Homo sapiens (human)	C-TAK1,cTAK1,Cdc25C-associated protein kinase 1,ELKL motif kinase 2,EMK-2,Protein kinase STK10,Ser/Thr protein kinase PAR-1,Par-1a,Serine/threonine-protein kinase p78
2	C, D (A, B)	3-({5-chloro-2-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl}amino)thiophene-2-carboxamide	non-polymer		510.0	2	Chemie (A1CZY)
3	E, F (A, B)	water	water		18.0	55	Chemie (HOH)

Sequence modifications

A, B: 48 - 370 (UniProt: P27448)

PDB	External Database	Details
Gly 43	-	expression tag
Ala 44	-	expression tag
Met 45	-	expression tag
Gly 46	-	expression tag
Ser 47	-	expression tag
Leu 62	Ile 62	engineered mutation
Arg 72	Leu 72	engineered mutation
Ile 116	Val 116	engineered mutation
Lys 137	Gly 137	engineered mutation
Tyr 141	Phe 141	engineered mutation
Glu 146	Ala 146	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75745.6
Non-Polymers*	Number of molecules	2
	Total formula weight	1019.9
All*	Total formula weight	76765.5

*Water molecules are not included.