Structure of PDB 2q0g Chain B Binding Site BS02

Receptor Information
>2q0g Chain B (length=324) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSPAVVGRSLVNSFKQFVSKVDATYRLVLDCVAAVDPLMRLYTFGSTVVY
GVHEKGSDVDFVVLNKTDVEDGKGGDAATQVAKGLQADILAKLARVIRQK
HLSWNVEEVRRTRVPVVRVKGGGAVDFDITAYRRNGVRNSALLRAYFEQN
PPCRWLSMSIKRWSKQTGLNASVIGGSITSYGFNLMVVYYLLQRNHLQFV
PPSTIDVSRVEPLPPHLPLEEPADEGLELGTQVLDFLHFFLHEFDSDKQV
ISLNRPGITTKEELDWTKSAEDFARMNGEKVHYQWCIEDPYELNLNVGRN
VTPLKRDFLRRHLEKARDTALLTI
Ligand information
Ligand IDUPU
InChIInChI=1S/C18H23N4O14P/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
InChIKeyKXSPLNAXPMVUEC-NCOIDOBVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)CO)O)O
ACDLabs 10.04O=C1C=CN(C(=O)N1)C4OC(CO)C(OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O)C3O)C4O
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[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O
FormulaC18 H23 N4 O14 P
Name
ChEMBL
DrugBank
ZINCZINC000016052409
PDB chain2q0g 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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PDB2q0g Dual role of the RNA substrate in selectivity and catalysis by terminal uridylyl transferases.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F52 D68 V122 N147 Y189
Binding residue
(residue number reindexed from 1)		F44 D60 V114 N139 Y181
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:2q0g, PDBe:2q0g, PDBj:2q0g
PDBsum2q0g
PubMed17785418
UniProtQ381M1|TUT4_TRYB2 Terminal uridylyltransferase 4 (Gene Name=TUT4)

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