3EPX

Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)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	IAG-nucleoside hydrolase	polymer	338	37621.9	2	UniProt (Q9GPQ4) Pfam (PF01156) In PDB	Trypanosoma vivax
2	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	A, B	(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol	non-polymer		274.3	2	Chemie (IMQ)
4	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5		water	water		18.0	675	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	5
	Total formula weight	720.9
All*	Total formula weight	75964.6

*Water molecules are not included.