Structure of PDB 6cth Chain A Binding Site BS02

Receptor Information
>6cth Chain A (length=295) Species: 3641 (Theobroma cacao) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRKFSLNELAKVTSNFNAENKLGEGGFGSVYRGFLRDSDTYIAVKKVSRA
SKQGIKEYASEVKIISRLRHKNLVKLIGWCHERGELMLVYEFMANGSLDS
HIFKGKSLLTWEVRYRIVKDLASALLYLHEEGDHCVLHRDIKTSNIMLDS
SFNAKLGDFGLARLVDKTLLAGTVGYMAPECLSSGKASKESDVYSFGVVA
LEIASGRRSIEPKFEESEALLLVPWVWESYGNERILDIADRKLGMAFDPK
QLECLVMVGLWCAHPSHNLRPSIRQVIQVLNFEAPLPNLPGSMPI
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6cth Chain A Residue 602 [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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PDB6cth Crystal Structure of Pathogenesis-related Protein 1G (PR-1G) Kinase Domain from Cacao
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D393 D411
Binding residue
(residue number reindexed from 1)		D140 D158
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D393 K395 S397 N398 D411 T432
Catalytic site (residue number reindexed from 1) D140 K142 S144 N145 D158 T173
Enzyme Commision number ?
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:6cth, PDBe:6cth, PDBj:6cth
PDBsum6cth
PubMed
UniProtA0A061FLD4

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