4BRL

Legionella pneumophila NTPDase1 crystal form III (closed) in complex with transition state mimic guanosine 5'-phosphovanadate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I	polymer	368	41880.6	2	UniProt (Q5ZUA2) Pfam (PF01150) In PDB	LEGIONELLA PNEUMOPHILA	NTPDASE1
2	A, B	GUANOSINE-5'-PHOSPHOVANADATE	non-polymer		481.2	2	Chemie (GMV)
3	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A, B	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
5		water	water		18.0	462	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	7
	Total formula weight	1117.3
All*	Total formula weight	84878.5

*Water molecules are not included.