Structure of PDB 3h7c Chain X Binding Site BS02

Receptor Information
>3h7c Chain X (length=369) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEESRESPAEHGYYMPAEWDSHAQTWIGWPERQDNWRHNALPAQRVFAGV
AKAISKFEPVTVCASPAQWENARKQLPEDIRVVEMSMNDSWFRDSGPTFI
VRKRNRNIAGIDWNFNAWGGANDGCYNDWSHDLLVSRKILALERIPRFQH
SMILEGGSIHVDGEGTCLVTEECLLNKNRNPHMSKEQIEEELKKYLGVQS
FIWLPRGLYGDEDTNGHIDNMCCFARPGVVLLSWTDDETDPQYERSVEAL
SVLSNSIDARGRKIQVIKLYIPEPLYMTEEESSGITQDGEAIPRLAGTRL
AASYVNFYIANGGIIAPQFGDPIRDKEAIRVLSDTFPHHSVVGIENAREI
VLAGGNIHCITQQQPAEPT
Ligand information
Ligand ID211
InChIInChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
InChIKeyGSEJCLTVZPLZKY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CO)N(CCO)CCO
ACDLabs 10.04
CACTVS 3.341		OCCN(CCO)CCO
FormulaC6 H15 N O3
Name2,2',2''-NITRILOTRIETHANOL
ChEMBLCHEMBL446061
DrugBankDB13747
ZINCZINC000000896409
PDB chain3h7c Chain X Residue 390 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3h7c Structural Insights into the Catalytic Mechanism of Arabidopsis thaliana Agmatine Deiminase
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N35 W91 W125 C132 D220 T221 R301 A360 G361
Binding residue
(residue number reindexed from 1)		N35 W91 W118 C125 D213 T214 R294 A353 G354
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:3h7c, PDBe:3h7c, PDBj:3h7c
PDBsum3h7c
PubMed
UniProtQ8GWW7|AGUA_ARATH Agmatine deiminase (Gene Name=AIH)

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