3EPW

Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-1-[(4-hydroxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidin-3,4-diol

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)	IAG-nucleoside hydrolase	polymer	338	37621.9	2	UniProt (Q9GPQ4) Pfam (PF01156)	Trypanosoma vivax
2	C, F (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	D, G (A, B)	7-(((2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one	non-polymer		280.3	2	Chemie (JMQ)
4	E, H (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	I, J (A, B)	water	water		18.0	838	Chemie (HOH)

Sequence modifications

A, B: 2 - 327 (UniProt: Q9GPQ4)

PDB	External Database	Details
Met -10	-	expression tag
Arg -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Asn 301	Lys 301	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75243.7
Non-Polymers*	Number of molecules	6
	Total formula weight	689.3
All*	Total formula weight	75933.1

*Water molecules are not included.