Structure of PDB 5w0n Chain B Binding Site BS03

Receptor Information
>5w0n Chain B (length=372) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LEPLPPLTPKFLNILDQVCIQCYKDFSPTIIEDQAREHIRQNLESFIRQD
FPGTKLSLFGSSKNGFGFKQSDLDVCMTINGLETAEGLDCVRTIEELARV
LRKHSGLRNILPITTAKVPIVKFFHLRSGLEVDISLYNTLALHNTRLLSA
YSAIDPRVKYLCYTMKVFTKMCDIGDASRGSLSSYAYTLMVLYFLQQRNP
PVIPVLQEIYKGEKKPEIFVDGWNIYFFDQIDELPTYWSECGKNTESVGQ
LWLGLLRFYTEEFDFKEHVISIRRKSLLTTFKKQWTSKYIVIEDPFDLNH
NLGAGLSRKMTNFIMKAFINGRRVFGIPVKGYPSKMEYFFDPDVLTEGEL
APNDRCCRICGKIGHFMKDCPM
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 B 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 T1101 A1102 V1104 I1106 N1124 S1164 I1353 H1355
Binding residue
(residue number reindexed from 1)		F59 D74 I113 T115 A116 V118 I120 N138 S178 I363 H365
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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