Structure of PDB 5kal Chain A Binding Site BS02

Receptor Information
>5kal Chain A (length=325) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPSPAVVGRSLVNSFKQFVSHVDATYRLVLDCVAAVDPLMRLYTFGSTVV
YGVHEKGSDVDFVVLNKTDVEDGKGGDAATQVAKGLQADILAKLARVIRQ
KHLSWNVEEVRRTRVPVVRVKGGGAVDFDITAYRRNGVRNSALLRAYFEQ
NPPCRWLSMSIKRWSKQTGLNASVIGGSITSYGFNLMVVYYLLQRNHLQF
VPPSTIDVSRVEPLPPHLPLEEPADEGLELGTQVLDFLHFFLHEFDSDKQ
VISLNRPGITTKEELDWTKSAEDFARMNGEKVHYQWCIEDPYELNLNVGR
NVTPLKRDFLRRHLEKARDTALLTI
Ligand information
Ligand IDUTP
InChIInChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyPGAVKCOVUIYSFO-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]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)C(O)C2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
FormulaC9 H15 N2 O15 P3
NameURIDINE 5'-TRIPHOSPHATE
ChEMBLCHEMBL336296
DrugBankDB04005
ZINCZINC000003861755
PDB chain5kal Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5kal RNA Editing TUTase 1: structural foundation of substrate recognition, complex interactions and drug targeting.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		F52 S54 G144 N147 S148 K169 K173 S188 Y189
Binding residue
(residue number reindexed from 1)		F45 S47 G137 N140 S141 K162 K166 S181 Y182
Annotation score4
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:5kal, PDBe:5kal, PDBj:5kal
PDBsum5kal
PubMed27744351
UniProtQ381M1|TUT4_TRYB2 Terminal uridylyltransferase 4 (Gene Name=TUT4)

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