7MU6

Ask1 bound to compound 28

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	Mitogen-activated protein kinase kinase kinase 5	polymer	334	37518.5	2	UniProt (Q99683) Pfam (PF00069) In PDB	Homo sapiens (human)	Apoptosis signal-regulating kinase 1,ASK-1,MAPK/ERK kinase kinase 5,MEK kinase 5,MEKK 5
2	A, B	2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide	non-polymer		392.3	2	Chemie (A1AWT)
3		water	water		18.0	267	Chemie (HOH)

Sequence modifications

A, B: 660 - 977 (UniProt: Q99683)

PDB	External Database	Details
Met 644	-	initiating methionine
Asp 645	-	expression tag
Tyr 646	-	expression tag
Lys 647	-	expression tag
Asp 648	-	expression tag
Asp 649	-	expression tag
Asp 650	-	expression tag
Asp 651	-	expression tag
Lys 652	-	expression tag
Glu 653	-	expression tag
Asn 654	-	expression tag
Leu 655	-	expression tag
Tyr 656	-	expression tag
Phe 657	-	expression tag
Gln 658	-	expression tag
Gly 659	-	expression tag
Glu 838	Thr 838	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75036.9
Non-Polymers*	Number of molecules	2
	Total formula weight	784.7
All*	Total formula weight	75821.6

*Water molecules are not included.