Structure of PDB 5wnk Chain A Binding Site BS01

Receptor Information
>5wnk 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]
ALGLLRTFDAGEFAGWEKVGSFGQVYKVRHVHWKTWLAIKCSPSLHVDDR
ERMELLEEAKKMEMAKFRYILPVYGICQEPVGLVMEYMETGSLEKLLASE
PLPWDLRFRIVHETAVGMNFLHCMSPPLLHLNLKPANILLDAHYHVKISD
FGLAKCFGTIAYLPPERIREKSRLFDTKHDVYSFAIVIWGVLTQKKPFAD
EKNILHIMMKVVKGHRPELPPICRPRPRACASLIGLMQRCWHADPQVRPT
FQEITSETEDLCE
Ligand information
Ligand IDB6J
InChIInChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)
InChIKeyUJIAQDJKSXQLIT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1nc(N)c2nc(c3cccc(O)c3)c(nc2n1)c4cccc(O)c4
OpenEye OEToolkits 2.0.6c1cc(cc(c1)O)c2c(nc3c(n2)c(nc(n3)N)N)c4cccc(c4)O
ACDLabs 12.01c1c(cccc1c4c(c2cccc(O)c2)nc3c(c(nc(n3)N)N)n4)O
FormulaC18 H14 N6 O2
Name3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol
ChEMBLCHEMBL230011
DrugBankDB05552
ZINCZINC000006718666
PDB chain5wnk Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5wnk Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Resolution3.11 Å
Binding residue
(original residue number in PDB)		A49 K51 M96 A147 L150 D161
Binding residue
(residue number reindexed from 1)		A38 K40 M85 A136 L139 D150
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N143 A147 N148 D161
Catalytic site (residue number reindexed from 1) N132 A136 N137 D150
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:5wnk, PDBe:5wnk, PDBj:5wnk
PDBsum5wnk
PubMed29706531
UniProtQ9ERK0|RIPK4_MOUSE Receptor-interacting serine/threonine-protein kinase 4 (Gene Name=Ripk4)

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