3SMS

Human Pantothenate kinase 3 in complex with a pantothenate analog

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	382	42360.0	1	UniProt (Q9H999) Pfam (PF03630)	Homo sapiens (human)	hPanK3, Pantothenic acid kinase 3
2	B (A)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
3	C (A)	(2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide	non-polymer		316.4	1	Chemie (RNH)
4	D, E, F, G, H... (A)	UNKNOWN ATOM OR ION	non-polymer			11	Chemie (UNX)
5	O (A)	water	water		18.0	129	Chemie (HOH)

Sequence modifications

A: 10 - 370 (UniProt: Q9H999)

PDB	External Database	Details
Met -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
Ser -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Ser 1	-	expression tag
Ser 2	-	expression tag
Gly 3	-	expression tag
Leu 4	-	expression tag
Val 5	-	expression tag
Pro 6	-	expression tag
Arg 7	-	expression tag
Gly 8	-	expression tag
Ser 9	-	expression tag
Asp 371	-	expression tag
Asp 372	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42360.0
Non-Polymers*	Number of molecules	13
	Total formula weight	743.6
All*	Total formula weight	43103.6

*Water molecules are not included.