6OYT

ASK1 kinase domain in complex with GS-4997

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Mitogen-activated protein kinase kinase kinase 5	polymer	280	31702.1	4	UniProt (Q99683) Pfam (PF00069) In PDB	Homo sapiens (Human)	Apoptosis signal-regulating kinase 1,ASK-1,MAPK/ERK kinase kinase 5,MEKK 5
2	A, B, C, D	5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide	non-polymer		445.5	4	Chemie (NJV)
3	A, B, C, D	ACETATE ION	non-polymer		59.0	9	Chemie (ACT)
4		water	water		18.0	79	Chemie (HOH)

Sequence modifications

A, B, C, D: 667 - 939 (UniProt: Q99683)

PDB	External Database	Details
Met 666	-	initiating methionine
His 940	-	expression tag
His 941	-	expression tag
His 942	-	expression tag
His 943	-	expression tag
His 944	-	expression tag
His 945	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	126808.4
Non-Polymers*	Number of molecules	13
	Total formula weight	2313.4
All*	Total formula weight	129121.8

*Water molecules are not included.