4BRE

Legionella pneumophila NTPDase1 crystal form II (closed) in complex with transition state mimic adenosine 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 (A, B)	ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I	polymer	368	41880.6	2	UniProt (Q5ZUA2) Pfam (PF01150)	LEGIONELLA PNEUMOPHILA
2	C (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
3	D, H (A, B)	ADENOSINE-5'-PHOSPHOVANADATE	non-polymer		465.2	2	Chemie (50T)
4	E, G (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	F, I (A, B)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES)
6	J, K (A, B)	water	water		18.0	469	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	1392.4
All*	Total formula weight	85153.6

*Water molecules are not included.