Structure of PDB 2q0f Chain A Binding Site BS03

Receptor Information
>2q0f Chain A (length=324) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSPAVVGRSLVNSFKQFVSHVDATYRLVLDCVAAVDPLMRLYTFGSTVVY
GVHEKGSDVDFVVLNKTDVEDGKGGDAATQVAKGLQADILAKLARVIRQK
HLSWNVEEVRRTRVPVVRVKGGGAVDFDITAYRRNGVRNSALLRAYFEQN
PPCRWLSMSIKRWSKQTGLNASVIGGSITSYGFNLMVVYYLLQRNHLQFV
PPSTIDVSRVEPLPPHLPLEEPADEGLELGTQVLDFLHFFLHEFDSDKQV
ISLNRPGITTKEELDWTKSAEDFARMNGEKVHYQWCIEDPYELNLNVGRN
VTPLKRDFLRRHLEKARDTALLTI
Ligand information
Ligand IDU5P
InChIInChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyDJJCXFVJDGTHFX-XVFCMESISA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
FormulaC9 H13 N2 O9 P
NameURIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL214393
DrugBankDB03685
ZINCZINC000002123545
PDB chain2q0f Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2q0f Dual role of the RNA substrate in selectivity and catalysis by terminal uridylyl transferases.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		F52 D68 D136
Binding residue
(residue number reindexed from 1)		F44 D60 D128
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.7.52: RNA uridylyltransferase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003723 RNA binding
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
GO:0050265 RNA uridylyltransferase activity
Biological Process
GO:0071076 RNA 3' uridylation
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0020023 kinetoplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2q0f, PDBe:2q0f, PDBj:2q0f
PDBsum2q0f
PubMed17785418
UniProtQ381M1|TUT4_TRYB2 Terminal uridylyltransferase 4 (Gene Name=TUT4)

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