Structure of PDB 5wni Chain A Binding Site BS02

Receptor Information
>5wni Chain A (length=263) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WALGLLRTFDAGEFAGWEKVGSQVYKVRHVHWKTWLAIKCSPSLHVDDRE
RMELLEEAKKMEMAKFRYILPVYGICQEPVGLVMEYMETGSLEKLLASEP
LPWDLRFRIVHETAVGMNFLHCMSPPLLHLNLKPANILLDAHYHVKISDF
GLAKCNFGTIAYLPPERIREKSRLFDTKHDVYSFAIVIWGVLTQKKPFAD
EKNILHIMMKVVKGHRPELPPICRPRPRACASLIGLMQRCWHADPQVRPT
FQEITSETEDLCE
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 chain5wni Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5wni Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		V36 A49 K51 M96 Y98 M99 A147 L150 D161
Binding residue
(residue number reindexed from 1)		V24 A37 K39 M84 Y86 M87 A135 L138 D149
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N143 A147 N148 D161
Catalytic site (residue number reindexed from 1) N131 A135 N136 D149
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5wni, PDBe:5wni, PDBj:5wni
PDBsum5wni
PubMed29706531
UniProtQ9ERK0|RIPK4_MOUSE Receptor-interacting serine/threonine-protein kinase 4 (Gene Name=Ripk4)

[Back to BioLiP]