3EJ2

Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound 5-amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile, H32 crystal form

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Inorganic pyrophosphatase	polymer	196	21473.6	1	UniProt (Q3JUV5) Pfam (PF00719)	Burkholderia pseudomallei 1710b
2	B (A)	5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile	non-polymer		218.6	1	Chemie (928)
3	C (A)	water	water		18.0	66	Chemie (HOH)

Sequence modifications

A: 1 - 175 (UniProt: Q3JUV5)

PDB	External Database	Details
Met -20	-	expression tag
Ala -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Met -12	-	expression tag
Gly -11	-	expression tag
Thr -10	-	expression tag
Leu -9	-	expression tag
Glu -8	-	expression tag
Ala -7	-	expression tag
Gln -6	-	expression tag
Thr -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	21473.6
Non-Polymers*	Number of molecules	1
	Total formula weight	218.6
All*	Total formula weight	21692.3

*Water molecules are not included.