Structure of PDB 2nom Chain B Binding Site BS01

Receptor Information
>2nom Chain B (length=255) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPPSPAVVGRSLVNSFKQFVSKYTFGSTVVYGVDVDFVVLNKKGGDAGLQ
ADILVDFDITAYRRNGVRNSALLRAYFEQNPPCRWLSMSIKRWSKQTGLN
ASVIGGSITSYGFNLMVVYYLLQRNHLQFVPPSTIDVSRVEPLPPHLPLE
EPADEGLELGTQVLDFLHFFLHEFDSDKQVISLNRPGITTKEELDWTKSA
EDFARMNGEKVHYQWCIEDPYELNLNVGRNVTPLKRDFLRRHLEKARDTA
LLTIV
Ligand information
Ligand IDDUT
InChIInChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyAHCYMLUZIRLXAA-SHYZEUOFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
CACTVS 3.341O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.341O[C@H]1C[C@@H](O[C@@H]1CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
FormulaC9 H15 N2 O14 P3
NameDEOXYURIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL374361
DrugBankDB02333
ZINCZINC000008215971
PDB chain2nom Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2nom UTP-bound and Apo Structures of a Minimal RNA Uridylyltransferase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G53 S54 D68 N147 K169 K173 T187 S188 Y189
Binding residue
(residue number reindexed from 1)		G26 S27 D36 N69 K91 K95 T109 S110 Y111
Annotation score2
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:2nom, PDBe:2nom, PDBj:2nom
PDBsum2nom
PubMed17189640
UniProtQ381M1|TUT4_TRYB2 Terminal uridylyltransferase 4 (Gene Name=TUT4)

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