Structure of PDB 5wnm Chain A Binding Site BS01

Receptor Information
>5wnm 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
FGLAKFGTIAYLPPERIREKSRLFDTKHDVYSFAIVIWGVLTQKKPFADE
KNILHIMMKVVKGHRPELPPICRPRPRACASLIGLMQRCWHADPQVRPTF
QEITSETEDLCEK
Ligand information
Ligand IDVX6
InChIInChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
InChIKeyGCIKSSRWRFVXBI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(Nc4ccc(Sc2nc(N1CCN(C)CC1)cc(n2)Nc3cc(nn3)C)cc4)C5CC5
CACTVS 3.341CN1CCN(CC1)c2cc(Nc3[nH]nc(C)c3)nc(Sc4ccc(NC(=O)C5CC5)cc4)n2
OpenEye OEToolkits 1.5.0Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C
FormulaC23 H28 N8 O S
NameCYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE
ChEMBLCHEMBL572878
DrugBank
ZINCZINC000003820040
PDB chain5wnm 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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PDB5wnm Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		V28 A49 M96 E97 Y98 M99 E100 T101 G102 A147 L150 D161
Binding residue
(residue number reindexed from 1)		V19 A38 M85 E86 Y87 M88 E89 T90 G91 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:5wnm, PDBe:5wnm, PDBj:5wnm
PDBsum5wnm
PubMed29706531
UniProtQ9ERK0|RIPK4_MOUSE Receptor-interacting serine/threonine-protein kinase 4 (Gene Name=Ripk4)

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