5DHS

Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor

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	NAD kinase 1	polymer	272	31045.3	4	UniProt (Q8Y8D7) Pfam (PF01513) Pfam (PF20143) In PDB	Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)	ATP-dependent NAD kinase, Inorganic polyphosphate/ATP-NAD kinase 1
2	A, B	CITRIC ACID	non-polymer		192.1	2	Chemie (CIT)
3	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	A, B, C, D	5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine	non-polymer		509.5	4	Chemie (5AG)
5		water	water		18.0	173	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	124181.1
Non-Polymers*	Number of molecules	7
	Total formula weight	2514.5
All*	Total formula weight	126695.6

*Water molecules are not included.