Structure of PDB 8gm4 Chain A Binding Site BS02

Receptor Information
>8gm4 Chain A (length=462) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FHFKEAWKHAIQKAKHMPDPWAEFHLEDIATERATRHRYNAVTGEWLDDE
VLIKMASQPFGRGAMRECFRTKKLSNFLHAQQWKGASNYVAKRYIEPVDR
DVYFEDVRLQMEAKLWGEEYNRHKPPKQVDIMQMCIIELKDRPGKPLFHL
EHYIEGKYIKYNSNSGFVRDNIRLTPQAFSHFTFERSGHQLIVVDIQGVG
DLYTDPQIHTETGTDFGDGNLGVRGMALFFYSHACNRICESMGLAPFDLS
PRERDAVNQAKTILRGTEEKCKKIGKSILGKVHLAMVRYHEGGRFCEEEW
DQESAVFHLEHAANLGELEAIVGLGLMYSQLPHHILADVSLKETEENKTK
GFDYLLKAAEAGDRQSMILVARAFDSGQNLSPDRCQDWLEALHWYNTALE
MEPRYMMLAREAEMLFTGGYGLEKDPQRSGDLYTQAAEAAMEAMKGRLAN
QYYQKAEEAWAQ
Ligand information
Ligand IDEKI
InChIInChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)
InChIKeyHWODCHXORCTEGU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCN1C(=O)N(C2CC2)c3nc(N)c(cc3C1=O)C(N)=O
ACDLabs 12.01NC(=O)c1cc2c(nc1N)N(C(=O)N(CC)C2=O)C1CC1
OpenEye OEToolkits 2.0.7CCN1C(=O)c2cc(c(nc2N(C1=O)C3CC3)N)C(=O)N
FormulaC13 H15 N5 O3
Name7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
ChEMBLCHEMBL1977874
DrugBank
ZINCZINC000063539695
PDB chain8gm4 Chain A Residue 802 [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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PDB8gm4 Structure of the complex between calmodulin and a functional construct of eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		G139 C146 V168 K170 E229 Y231 I232 Y236 T283 D284
Binding residue
(residue number reindexed from 1)		G61 C68 V90 K92 E151 Y153 I154 Y158 T204 D205
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.20: [elongation factor 2] kinase.
Gene Ontology
Molecular Function
GO:0004674 protein serine/threonine kinase activity
GO:0004686 elongation factor-2 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:8gm4, PDBe:8gm4, PDBj:8gm4
PDBsum8gm4
PubMed37172726
UniProtO00418|EF2K_HUMAN Eukaryotic elongation factor 2 kinase (Gene Name=EEF2K)

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