Structure of PDB 6fl3 Chain B Binding Site BS03

Receptor Information
>6fl3 Chain B (length=420) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVLFQGPMEMILEEKDASDWIYRGEGGANLVLAYAGSSPLFVGKVIRIQK
ARRSVLTSDEQHLWRENNELISSPNKEVLEQRYVQNVIIPLLGPKHVDAG
VRVSVSKEFLECVDKKVTKQRPLWRVNAANVDTSHDSALILNDHSLFSQG
GDCISVEIKPKCGFLPTSRFIGKENMLKTSVSRFKMHQLLKLEYIEISEE
SEYDPLDLFSGSKERVLEAIKALYSTPQNNFRVFLNGSLILGGSGESTGR
TSPEIGYAFEDALKGFIQSEDGHRTECFLQLVSDAVYGSGVLDRLLEIQK
LDKLDIEGAIHCYYDIINQPCPICKEGRELSLHALPLDESLKIVKEYLIA
ATAKDCSIMISFQSRNAWDSGDYVSLKPTNQTFDYKVHFIDLSLKPLKRM
ESYYKLDKKIISFYNRKQKA
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 chain6fl3 Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fl3 A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase.
Resolution2.36 Å
Binding residue
(original residue number in PDB)		S370 D407
Binding residue
(residue number reindexed from 1)		S357 D391
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.158: inositol-pentakisphosphate 2-kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0032942 inositol-1,4,5,6-tetrakisphosphate 2-kinase activity
GO:0035299 inositol-1,3,4,5,6-pentakisphosphate 2-kinase activity
GO:0046872 metal ion binding
GO:0102731 inositol-1,3,4,6-tetrakisphosphate 2-kinase activity
Biological Process
GO:0010264 myo-inositol hexakisphosphate biosynthetic process
GO:0016310 phosphorylation
GO:0030643 intracellular phosphate ion homeostasis
GO:0042742 defense response to bacterium
GO:0048527 lateral root development
GO:0050832 defense response to fungus
GO:0051607 defense response to virus
GO:0055062 phosphate ion homeostasis
Cellular Component
GO:0005634 nucleus
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:6fl3, PDBe:6fl3, PDBj:6fl3
PDBsum6fl3
PubMed30160967
UniProtQ93YN9|IPPK_ARATH Inositol-pentakisphosphate 2-kinase (Gene Name=IPK1)

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