Structure of PDB 2rsf Chain A Binding Site BS01

Receptor Information
>2rsf Chain A (length=110) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSSGSSGFLDKPTLLSPEELKAASRGNGEYAWYYEGRNGWWQYDERTSRE
LEDAFSKGKKNTEMLIAGFLYVADLENMVQYRRNEHGRRRKIKRDIIDIP
KKGVSGPSSG
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 chain2rsf Chain A Residue 201 [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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PDB2rsf Complex structure of WWE domain in RNF146 with ATP
ResolutionN/A
Binding residue
(original residue number in PDB)		Y34 Y43 I66 Y71 Q80 R82 R88 R90
Binding residue
(residue number reindexed from 1)		Y34 Y43 I66 Y71 Q80 R82 R88 R90
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.2.27: RING-type E3 ubiquitin transferase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0061630 ubiquitin protein ligase activity
GO:0072572 poly-ADP-D-ribose binding
Biological Process
GO:0016055 Wnt signaling pathway

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2rsf, PDBe:2rsf, PDBj:2rsf
PDBsum2rsf
PubMed
UniProtQ9CZW6|RN146_MOUSE E3 ubiquitin-protein ligase RNF146 (Gene Name=Rnf146)

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