4GI7

Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with a pantothenate analogue

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, E... (A, C, B, D, E...)	Pantothenate kinase	polymer	334	38460.8	8	UniProt (B5XYG3) Pfam (PF00485)	Klebsiella pneumoniae	Pantothenic acid kinase
2	BB, EA, I, JB, O... (G, D, A, H, C...)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	8	Chemie (ADP)
3	FA, J, P, TA, Y (D, A, C, F, B)	(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamide	non-polymer		309.4	5	BIRD (PRD_000903) Chemie (0JR)
4	AA, AB, BA, CA, CB... (B, F, G, D, A...)	UNKNOWN ATOM OR ION	non-polymer			45	Chemie (UNX)
5	OB, PB, QB, RB, SB... (A, C, B, D, E...)	water	water		18.0	1023	Chemie (HOH)

Sequence modifications

A, C, B, D, E, F, G, H: 1001 - 1316 (UniProt: B5XYG3)

PDB	External Database	Details
Met 983	-	expression tag
His 984	-	expression tag
His 985	-	expression tag
His 986	-	expression tag
His 987	-	expression tag
His 988	-	expression tag
His 989	-	expression tag
Ser 990	-	expression tag
Ser 991	-	expression tag
Gly 992	-	expression tag
Arg 993	-	expression tag
Glu 994	-	expression tag
Asn 995	-	expression tag
Leu 996	-	expression tag
Tyr 997	-	expression tag
Phe 998	-	expression tag
Gln 999	-	expression tag
Gly 1000	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	307686.3
Non-Polymers*	Number of molecules	58
	Total formula weight	4964.4
All*	Total formula weight	312650.7

*Water molecules are not included.