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 | 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 | 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 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
5 | 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 |
Sequence viewer
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 |