8B47

Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a cyclic di-adenosine derivative

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	NAD kinase 1	polymer	272	31045.3	2	UniProt (Q8Y8D7) Pfam (PF01513) Pfam (PF20143) In PDB	Listeria monocytogenes EGD-e	ATP-dependent NAD kinase
2	A, B	(1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-20,20-bis(oxidanylidene)-26-oxa-20$l^{6}-thia-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3,5,7,9-tetraen-11-yn-16-one	non-polymer		715.7	2	Chemie (OWU)
3	A	PENTAETHYLENE GLYCOL	non-polymer		238.3	1	Chemie (1PE)
4	A, B	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
5		water	water		18.0	66	Chemie (HOH)

Sequence modifications

A, B: 1 - 264 (UniProt: Q8Y8D7)

PDB	External Database	Details
Leu 265	-	expression tag
Glu 266	-	expression tag
His 267	-	expression tag
His 268	-	expression tag
His 269	-	expression tag
His 270	-	expression tag
His 271	-	expression tag
His 272	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	62090.6
Non-Polymers*	Number of molecules	5
	Total formula weight	1859.6
All*	Total formula weight	63950.2

*Water molecules are not included.