Structure of PDB 5w0n Chain A Binding Site BS03

Receptor Information
>5w0n Chain A (length=379) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IQLEPLPPLTPKFLNILDQVCIQCYKDFSPTIIEDQAREHIRQNLESFIR
QDFPGTKLSLFGSSKNGFGFKQSDLDVCMTINGLETAEGLDCVRTIEELA
RVLRKHSGLRNILPITTAKVPIVKFFHLRSGLEVDISLYNTLALHNTRLL
SAYSAIDPRVKYLCYTMKVFTKMCDIGDASRGSLSSYAYTLMVLYFLQQR
NPPVIPVLQEIYKGEKKPEIFVDGWNIYFFDQIDELPTYWSECGKNTESV
GQLWLGLLRFYTEEFDFKEHVISIRRKSLLTTFKKQWTSKYIVIEDPFDL
NHNLGAGLSRKMTNFIMKAFINGRRVFGIPVKGFPKDYPSKMEYFFDPDV
LTEGELAPNDRCCRICGKIGHFMKDCPMR
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 chain5w0n Chain A Residue 1403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5w0n Multi-domain utilization by TUT4 and TUT7 in control of let-7 biogenesis.
Resolution2.497 Å
Binding residue
(original residue number in PDB)		F1045 D1060 I1099 V1104 I1106 N1124 S1164 I1353 G1354 H1355
Binding residue
(residue number reindexed from 1)		F61 D76 I115 V120 I122 N140 S180 I369 G370 H371
Annotation score2
Enzymatic activity
Enzyme Commision number 2.7.7.52: RNA uridylyltransferase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:5w0n, PDBe:5w0n, PDBj:5w0n
PDBsum5w0n
PubMed28671666
UniProtQ5VYS8|TUT7_HUMAN Terminal uridylyltransferase 7 (Gene Name=TUT7)

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