Structure of PDB 8oi9 Chain B Binding Site BS02

Receptor Information
>8oi9 Chain B (length=346) Species: 5722 (Trichomonas vaginalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSIKCALDCDPGHDDLAMIMLAVYSPKLDVQYISTTHGNQTVNKTYQNAR
RTLNLIKRADKIPVYRGYSKPLTRESVACPEIHGESGLGGVDWSEIDRTM
PRNPALDILGYKDESELRPDDFFKHLHRLVSAAEDKFDIISTGSETNIAQ
YLLAYPEDAKKIRMTTMAGNFMIVGNIMPFAEFNVLIDPEAISNILQSGV
DYTFAAPLDITHTVLVTEKVINDIKAATEPYSPKFTEMIIKLLFFFKDTY
RDVFGFIDPPLHDPVAAFHLIAPEWFEHVRCHVDIETKGEYTYGCCCTNL
ILKKKDPTKIVKPDNATVCLKLKEGGHDAFWNQMITVWGEIAKEIG
Ligand information
Ligand ID38T
InChIInChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1
InChIKeyDWRXFEITVBNRMK-JXOAFFINSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
CACTVS 3.385CC1=CN([CH]2O[CH](CO)[CH](O)[CH]2O)C(=O)NC1=O
OpenEye OEToolkits 1.7.6CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.385CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O
ACDLabs 12.01O=C1NC(=O)N(C=C1C)C2OC(C(O)C2O)CO
FormulaC10 H14 N2 O6
Name5-methyluridine
ChEMBLCHEMBL106175
DrugBank
ZINCZINC000002583634
PDB chain8oi9 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8oi9 A riboside hydrolase that salvages both nucleobases and nicotinamide in the auxotrophic parasite Trichomonas vaginalis.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D14 E182 F183 F246 D263
Binding residue
(residue number reindexed from 1)		D14 E182 F183 F246 D263
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008477 purine nucleosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
GO:0046872 metal ion binding
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006152 purine nucleoside catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8oi9, PDBe:8oi9, PDBj:8oi9
PDBsum8oi9
PubMed37482279
UniProtA2FTT0

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