3MK6

Substrate and Inhibitor Binding to Pank

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 (A, B, C, D)	Pantothenate kinase 3	polymer	376	41661.3	4	UniProt (Q9H999) Pfam (PF03630)	Homo sapiens (human)	hPanK3, Pantothenic acid kinase 3
2	E, I, K, N (A, B, C, D)	ACETYL COENZYME *A	non-polymer		809.6	4	Chemie (ACO)
3	F, G, H, J, L... (A, B, C, D)	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
4	Q, R, S, T (A, B, C, D)	water	water		18.0	523	Chemie (HOH)

Sequence modifications

A, B, C, D: 12 - 368 (UniProt: Q9H999)

PDB	External Database	Details
Met -7	-	expression tag
Gly -6	-	expression tag
Ser -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
Ser 3	-	expression tag
Ser 4	-	expression tag
Gly 5	-	expression tag
Leu 6	-	expression tag
Val 7	-	expression tag
Pro 8	-	expression tag
Arg 9	-	expression tag
Gly 10	-	expression tag
Ser 11	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	166645.3
Non-Polymers*	Number of molecules	12
	Total formula weight	3975.0
All*	Total formula weight	170620.3

*Water molecules are not included.