Structure of PDB 5wu4 Chain B Binding Site BS01

Receptor Information
>5wu4 Chain B (length=483) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSHQLAKALAEAADVGAQMIKLVGLRELSEAERQLRSLVVALMQEVFTEF
FPGCVVHPFGSSINSFDVHGCDLDLFLDLETPKEEKAEGAAMLELVGSIL
RGCVPGVYRVQTVPSARRPVVKFAHRPSGLHGDVSLSNRLALHNSRFLSL
CSELDGRVRPLVYTLRAWAQGRGLSGSGPLLSNYALTLLVIYFLQTRDPP
VLPTVSQLTQKAGEGEQVEVDGWDCSFPRDASRLEPSINVEPLSSLLAQF
FSAVSSWDLRGSLLSLREGQALPVAGGLPSNLWEGLRLGPLNLQDPFDLS
HNVAANVTSRVAGRLQNCCRAAANYCRSLQYQRRSSRGRDWGLLPLLQPS
SPSSLLSATPIPLPLAPFTQLTAALVQVFREALGCHIEQSASWRCALWHR
VWQGRRRARRRLQQQTKGWLATEAQVTQELKTEPLLSFVASVSPADRMLT
VTPLQDPQGLFPDLHHFLQVFLPQAIRHLKLEH
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain5wu4 Chain B Residue 1001 [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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PDB5wu4 Crystal structures of U6 snRNA-specific terminal uridylyltransferase
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S205 D216 D218 A389 N392 Y432 H549
Binding residue
(residue number reindexed from 1)		S61 D72 D74 A141 N144 Y184 H301
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.7.19: polynucleotide adenylyltransferase.
2.7.7.52: RNA uridylyltransferase.
External links
PDB RCSB:5wu4, PDBe:5wu4, PDBj:5wu4
PDBsum5wu4
PubMed28589955
UniProtQ9H6E5|STPAP_HUMAN Speckle targeted PIP5K1A-regulated poly(A) polymerase (Gene Name=TUT1)

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