4BRK

Legionella pneumophila NTPDase1 N302Y variant crystal form III (closed) in complex with MG UMPPNP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I	polymer	368	41929.7	2	UniProt (Q5ZUA2) Pfam (PF01150)	LEGIONELLA PNEUMOPHILA	NTPDASE1
2	C, J (A, B)	5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine	non-polymer		483.2	2	Chemie (UNP)
3	D, K (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	E, L (A, B)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES)
5	F, M (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	G, H, I (A, B)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
7	N, O (A, B)	water	water		18.0	766	Chemie (HOH)

Sequence modifications

A, B: 35 - 393 (UniProt: Q5ZUA2)

PDB	External Database	Details
Met 34	-	expression tag
Leu 394	-	expression tag
Glu 395	-	expression tag
His 396	-	expression tag
His 397	-	expression tag
His 398	-	expression tag
His 399	-	expression tag
His 400	-	expression tag
His 401	-	expression tag
Asp 137	Glu 137	conflict
Val 149	Ala 149	conflict
Tyr 302	Asn 302	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83859.3
Non-Polymers*	Number of molecules	11
	Total formula weight	1695.9
All*	Total formula weight	85555.3

*Water molecules are not included.