Structure of PDB 5h9b Chain A Binding Site BS02

Receptor Information
>5h9b Chain A (length=269) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CTRFSDNYDIKEELGKGAFSIVKRCVQKSTGFEFAAKIINTKKLTARDFQ
KLEREARICRKLHHPNIVRLHDSIQEENYHYLVFDLVTGGELFEDIVARE
FYSEADASHCIQQILESVNHCHQNGVVHRDLKPENLLLASKAKGAAVKLA
DFGLAIEVQGDHQAWFGFAGTPGYLSPEVLKKEPYGKSVDIWACGVILYI
LLVGYPPFWDEDQHRLYSQIKAGAYDYPSPEWDTVTPEAKNLINQMLTVN
PNKRITAAEALKHPWICQR
Ligand information
Ligand IDAN2
InChIInChI=1S/C10H16N6O9P2/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(24-10)1-23-27(21,22)25-26(12,19)20/h2-4,6-7,10,17-18H,1H2,(H,21,22)(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyFQMDCEJHLOLKLI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(N)O)O)O)N
ACDLabs 10.04O=P(O)(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@](N)(O)=O)[C@@H](O)[C@H]3O
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)(N)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](N)(O)=O)[CH](O)[CH]3O
FormulaC10 H16 N6 O9 P2
NameAMP PHOSPHORAMIDATE
ChEMBLCHEMBL574810
DrugBank
ZINC
PDB chain5h9b Chain A Residue 301 [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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PDB5h9b The Interaction between the Drosophila EAG Potassium Channel and the Protein Kinase CaMKII Involves an Extensive Interface at the Active Site of the Kinase.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		G21 K22 G23 S26 V28 A41 K43 L92 V93 E97 L143 D157
Binding residue
(residue number reindexed from 1)		G15 K16 G17 S20 V22 A35 K37 L86 V87 E91 L137 D151
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D136 K138 N141 D157 T177
Catalytic site (residue number reindexed from 1) D130 K132 N135 D151 T171
Enzyme Commision number 2.7.11.17: calcium/calmodulin-dependent 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:5h9b, PDBe:5h9b, PDBj:5h9b
PDBsum5h9b
PubMed30381148
UniProtQ00168|KCC2A_DROME Calcium/calmodulin-dependent protein kinase type II alpha chain (Gene Name=CaMKII)

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