Structure of PDB 3h7k Chain A Binding Site BS01

Receptor Information
>3h7k Chain A (length=367) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEESRESPAEHGYYMPAEWDSHAQTWIGWPERQDNWRHNALPAQRVFAGV
AKAISKFEPVTVCASPAQWENARKQLPEDIRVVEMSMNDSWFRDSGPTFI
VRKRNIAGIDWNFNAWGGANDGCYNDWSHDLLVSRKILALERIPRFQHSM
ILEGGSIHVDGEGTCLVTEECLLNKNRNPHMSKEQIEEELKKYLGVQSFI
WLPRGLYGDEDTNGHIDNMCCFARPGVVLLSWTDDETDPQYERSVEALSV
LSNSIDARGRKIQVIKLYIPEPLYMTEEESSGITQDGEAIPRLAGTRLAA
SYVNFYIANGGIIAPQFGDPIRDKEAIRVLSDTFPHHSVVGIENAREIVL
AGGNIHCITQQQPAEPT
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 chain3h7k Chain A Residue 384 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3h7k Structural Insights into the Catalytic Mechanism of Arabidopsis thaliana Agmatine Deiminase
Resolution1.84 Å
Binding residue
(original residue number in PDB)		D119 W120 S143
Binding residue
(residue number reindexed from 1)		D110 W111 S134
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.3.12: agmatine deiminase.
Gene Ontology
Molecular Function
GO:0004668 protein-arginine deiminase activity
GO:0016787 hydrolase activity
GO:0047632 agmatine deiminase activity
Biological Process
GO:0006596 polyamine biosynthetic process
GO:0009446 putrescine biosynthetic process
GO:0033388 putrescine biosynthetic process from arginine

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3h7k, PDBe:3h7k, PDBj:3h7k
PDBsum3h7k
PubMed
UniProtQ8GWW7|AGUA_ARATH Agmatine deiminase (Gene Name=AIH)

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