9D2O

PANK3 complex structure with compound PZ-5351

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 (A)	Pantothenate kinase 3	polymer	380	42125.8	1	UniProt (Q9H999) Pfam (PF03630)	Homo sapiens (human)	hPanK3,Pantothenic acid kinase 3
2	B (A)	N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-3-fluorophenyl)ethanesulfonamide	non-polymer		441.9	1	Chemie (A1A1N)
3	C (A)	ACETIC ACID	non-polymer		60.1	1	Chemie (ACY)
4	D (A)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
5	E (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
6	F, G (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
7	H (A)	water	water		18.0	133	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	6
	Total formula weight	1156.6
All*	Total formula weight	43282.3

*Water molecules are not included.