Structure of PDB 5wnl Chain A Binding Site BS01

Receptor Information
>5wnl Chain A (length=262) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALGLLRTFDAGEFAGWEKVGSGGFGQVYKVRHVHWKTWLAIKCSPVDDRE
RMELLEEAKKMEMAKFRYILPVYGICQEPVGLVMEYMETGSLEKLLASEP
LPWDLRFRIVHETAVGMNFLHCMSPPLLHLNLKPANILLDAHYHVKISDF
GLAKCFGTIAYLPPERIREKSRLFDTKHDVYSFAIVIWGVLTQKKPFADE
KNILHIMMKVVKGHRPELPPICRPRPRACASLIGLMQRCWHADPQVRPTF
QEITSETEDLCE
Ligand information
Ligand IDSTU
InChIInChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
InChIKeyHKSZLNNOFSGOKW-FYTWVXJKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CACTVS 3.341CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35
CACTVS 3.341CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35
ACDLabs 10.04O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C
OpenEye OEToolkits 1.5.0C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
FormulaC28 H26 N4 O3
NameSTAUROSPORINE
ChEMBLCHEMBL388978
DrugBankDB02010
ZINCZINC000003814434
PDB chain5wnl Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5wnl Crystal Structure of Ripk4 Reveals Dimerization-Dependent Kinase Activity.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		V28 G29 A49 K51 M96 E97 Y98 M99 G102 A147 L150
Binding residue
(residue number reindexed from 1)		V19 G20 A40 K42 M84 E85 Y86 M87 G90 A135 L138
Annotation score1
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5wnl, PDBe:5wnl, PDBj:5wnl
PDBsum5wnl
PubMed29706531
UniProtQ9ERK0|RIPK4_MOUSE Receptor-interacting serine/threonine-protein kinase 4 (Gene Name=Ripk4)

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