4BRM

Sulfur SAD phasing of the Legionella pneumophila NTPDase1 - crystal form III (closed) in complex with sulfate

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	41880.6	2	UniProt (Q5ZUA2) Pfam (PF01150)	LEGIONELLA PNEUMOPHILA	NTPDASE1
2	C, D, G, H (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
3	E, F (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	I, J (A, B)	water	water		18.0	350	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 34	-	expression tag
Asp 137	Glu 137	conflict
Val 149	Ala 149	conflict
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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83761.2
Non-Polymers*	Number of molecules	6
	Total formula weight	455.2
All*	Total formula weight	84216.3

*Water molecules are not included.