7UE6

PANK3 complex structure with compound PZ-3802

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Pantothenate kinase 3	polymer	380	42125.8	1	UniProt (Q9H999) Pfam (PF03630) In PDB	Homo sapiens (human)	hPanK3,Pantothenic acid kinase 3
2	A	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
3	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
4	A	6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile	non-polymer		368.4	1	Chemie (NDK)
5	A	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
6	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
7		water	water		18.0	195	Chemie (HOH)

Sequence modifications

A: 12 - 370 (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
Asp 371	-	expression tag
Asp 372	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42125.8
Non-Polymers*	Number of molecules	7
	Total formula weight	1144.2
All*	Total formula weight	43269.9

*Water molecules are not included.