Structure of PDB 4usj Chain B Binding Site BS01

Receptor Information
>4usj Chain B (length=281) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYRVEILSESLPFIQKFRGKTIVVKYGGAAMTSPELKSSVVSDLVLLACV
GLRPILVHGGGPDINRYLKQLNIPAEFRDGLRVTDATTMEIVSMVLVGKV
NKNLVSLINAAGATAVGLSGHDGRLLTARPVPNSAQLGFVGEVARVDPSV
LRPLVDYGYIPVIASVAADDSGQAYNINADTVAGELAAALGAEKLILLTD
VAGILENKEDPSSLIKEIDIKGVKKMIEDGKVAGGMIPKVKCCIRSLAQG
VKTASIIDGRRQHSLLHEIMSDEGAGTMITG
Ligand information
Ligand IDARG
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain4usj Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4usj A Widespread Glutamine-Sensing Mechanism in the Plant Kingdom.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		F33 K210 K232 E284 I285 S287 E289 G290 M294
Binding residue
(residue number reindexed from 1)		F17 K194 K216 E268 I269 S271 E273 G274 M278
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.00,IC50=0.1mM
Enzymatic activity
Catalytic site (original residue number in PDB) K41 G44 G77 D196 K255
Catalytic site (residue number reindexed from 1) K25 G28 G61 D180 K239
Enzyme Commision number 2.7.2.8: acetylglutamate kinase.
Gene Ontology
Molecular Function
GO:0003991 acetylglutamate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0006526 L-arginine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4usj, PDBe:4usj, PDBj:4usj
PDBsum4usj
PubMed25416954
UniProtQ9SCL7|NAGK_ARATH Acetylglutamate kinase, chloroplastic (Gene Name=NAGK)

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