Structure of PDB 4lv7 Chain B Binding Site BS01
Receptor Information
>4lv7 Chain B (length=394) Species:
3702
(Arabidopsis thaliana) [
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MILEEKDASDWIYRGEGGANLVLAYAGSSPLFVGKVIRIQKASVLTSDEQ
HLWRENNELISSPNKCVLEQRYVQNVIIPLLGPKHVDAGVRVSVSKEFLE
CVDKKVTKQRPLWRVNAANVDTSHDCALILNDHSLFSQDCISVEIKPKCG
FLPTSRFIGKENILKTSVSRFKMHQLLKLEYIEISEESEYDPLDLFSGSK
ERVLEAIKALYSTPQNNFRVFLNGSLILGGSGESTGRTSPEIGYAFEDAL
KGFIQSGHRTECFLQLVSDAVYGSGVLDRLLEIQKLDKLDIEGAIHCYYD
IINQPCPICSLHALPLDESLKIVKEYLIAATAKDCSIMISFQSRDYVSLK
PTNQTFDYKVHFIDLSLKPLKRMESYYKLDKKIISFYNRKQKAE
Ligand information
Ligand ID
IHP
InChI
InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
InChIKey
IMQLKJBTEOYOSI-GPIVLXJGSA-N
SMILES
Software
SMILES
CACTVS 3.385
O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7
C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385
O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
Formula
C6 H18 O24 P6
Name
INOSITOL HEXAKISPHOSPHATE;
MYO-INOSITOL HEXAKISPHOSPHATE;
INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
ChEMBL
CHEMBL1233511
DrugBank
DB14981
ZINC
ZINC000169289809
PDB chain
4lv7 Chain B Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
4lv7
Conformational stability of inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) dictates its substrate selectivity.
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
G19 G20 A21 R130 K168 K170 K200 N238 D368 D407 K411 R415 Y419
Binding residue
(residue number reindexed from 1)
G17 G18 A19 R114 K146 K148 K178 N216 D334 D364 K368 R372 Y376
Annotation score
5
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
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:4lv7
,
PDBe:4lv7
,
PDBj:4lv7
PDBsum
4lv7
PubMed
24165122
UniProt
Q93YN9
|IPPK_ARATH Inositol-pentakisphosphate 2-kinase (Gene Name=IPK1)
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