Structure of PDB 2q3u Chain B Binding Site BS01

Receptor Information
>2q3u Chain B (length=363) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPAEHGYYMPAEWDSHAQTWIGWPERQDNWRHNALPAQRVFAGVAKAISK
FEPVTVCASPAQWENARKQLPEDIRVVEMSMNDSWFRDSGPTFIVRKRNR
NIAGIDWNFNAWGGANDGCYNDWSHDLLVSRKILALERIPRFQHSMILEG
GSIHVDGEGTCLVTEECLLNKNRNPHMSKEQIEEELKKYLGVQSFIWLPR
GLYGDEDTNGHIDNMCCFARPGVVLLSWTDDETDPQYERSVEALSVLSNS
IDARGRKIQVIKLYIPEPLYMTEEESSGITQDGEAIPRLAGTRLAASYVN
FYIANGGIIAPQFGDPIRDKEAIRVLSDTFPHHSVVGIENAREIVLAGGN
IHCITQQQPAEPT
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 chain2q3u Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2q3u Ensemble refinement of protein crystal structures: validation and application.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		D119 W120 S143
Binding residue
(residue number reindexed from 1)		D106 W107 S130
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:2q3u, PDBe:2q3u, PDBj:2q3u
PDBsum2q3u
PubMed17850744
UniProtQ8GWW7|AGUA_ARATH Agmatine deiminase (Gene Name=AIH)

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