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
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0006139 | biological_process | nucleobase-containing compound metabolic process |
A | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
A | 0016799 | molecular_function | hydrolase activity, hydrolyzing N-glycosyl compounds |
A | 0046872 | molecular_function | metal ion binding |
B | 0006139 | biological_process | nucleobase-containing compound metabolic process |
B | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
B | 0016799 | molecular_function | hydrolase activity, hydrolyzing N-glycosyl compounds |
B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA A1001 |
Chain | Residue |
A | ASP10 |
A | ASP15 |
A | THR137 |
A | ASP261 |
A | JMQ1002 |
A | HOH1017 |
site_id | AC2 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE JMQ A1002 |
Chain | Residue |
A | ASP40 |
A | PHE79 |
A | TRP83 |
A | THR137 |
A | MET164 |
A | ASN173 |
A | GLU184 |
A | TRP185 |
A | ASN186 |
A | ARG252 |
A | TYR257 |
A | TRP260 |
A | ASP261 |
A | CA1001 |
A | HOH1017 |
A | HOH1024 |
A | HOH1126 |
A | ASN12 |
A | ASP14 |
A | ASP15 |
site_id | AC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG A1003 |
Chain | Residue |
A | ASP180 |
A | HOH1004 |
A | HOH1014 |
A | HOH1019 |
site_id | AC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA B1002 |
Chain | Residue |
B | ASP10 |
B | ASP15 |
B | THR137 |
B | ASP261 |
B | JMQ1003 |
B | HOH1320 |
site_id | AC5 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE JMQ B1003 |
Chain | Residue |
B | ASN12 |
B | ASP14 |
B | ASP15 |
B | ASP40 |
B | PHE79 |
B | TRP83 |
B | THR137 |
B | MET164 |
B | ASN173 |
B | GLU184 |
B | TRP185 |
B | ASN186 |
B | ARG252 |
B | TYR257 |
B | TRP260 |
B | ASP261 |
B | CA1002 |
B | HOH1320 |
B | HOH1382 |
B | HOH1435 |
site_id | AC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE MG B1004 |
Chain | Residue |
B | ASN59 |
B | HOH1437 |
B | HOH1446 |
B | HOH1458 |
Catalytic Information from CSA
site_id | CSA1 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1r4f |
Chain | Residue | Details |
A | ASN186 | |
A | ASP10 | |
A | TRP83 | |
A | TRP260 |
site_id | CSA2 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1r4f |
Chain | Residue | Details |
B | ASN186 | |
B | ASP10 | |
B | TRP83 | |
B | TRP260 |