Structure of PDB 8k69 Chain A Binding Site BS03

Receptor Information
>8k69 Chain A (length=458) Species: 39946 (Oryza sativa Indica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YVLHSIVLIYRFVSLHVHPFWIQLSYFLLISILGSVLLMFLKPSSPEFKP
GYIDMLFLSTSAMTVSGLSTIEMEVLSSSQIVVLTLLMLVGGEVFVSFLG
LMLRLLKRSKRLRWFLGFVVFSYFVVIHVVGFLLVLWYISRVSSAKAPLK
KKGINIALFSFSVTVSSFANGGLVPTNENMAIFSKNPGLLLLFIGQILAG
NTLYPLFLRILIWFLGKVTKLKDLKLMIKNSDELQYDYLLPKLPTAFLAS
TVIGLMASLVTLFGAVDWNSSVFDGLSSYQKIINALFMAVNARHSGENSI
DCSLIAPAVLVLFIILMYLPPSTTFALSNGDEKTANKKAKRKLGLVVQNL
AFSQLACISVFVIVAFITERSRLRNDPLNFSALNMIFEIISAYGNVGLST
GYSCSRLQKLHPGSICQDKPYSLSGWWSDEGKLLLVFVMLYGRLKAFTKG
TGEYWRLW
Ligand information
Ligand IDT7X
InChIInChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11+,19-17+,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKeyKRTOMQDUKGRFDJ-TWUHCGEESA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C/C=C\C/C=C/C/C=C/CCCCC
OpenEye OEToolkits 2.0.4CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
OpenEye OEToolkits 2.0.4CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C/CCCCC
ACDLabs 12.01C1(C(C(C(C(C1O)O)O)O)O)OP(OCC(OC(CCCC=[C@H]CC=[C@H]C[C@H]=CC\C=C\CCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O
FormulaC47 H83 O13 P
NamePhosphatidylinositol
ChEMBL
DrugBank
ZINCZINC000584905691
PDB chain8k69 Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8k69 Structural insights into ion selectivity and transport mechanism of plant HKT transporters
Resolution2.33 Å
Binding residue
(original residue number in PDB)		W209 Y210 P259 G260 L263
Binding residue
(residue number reindexed from 1)		W137 Y138 P187 G188 L191
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008324 monoatomic cation transmembrane transporter activity
Biological Process
GO:0006812 monoatomic cation transport
GO:0006813 potassium ion transport
GO:0006814 sodium ion transport
GO:0030001 metal ion transport
GO:0055085 transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8k69, PDBe:8k69, PDBj:8k69
PDBsum8k69
PubMed38570642
UniProtQ93XI5|HKT22_ORYSI Cation transporter HKT2;2 (Gene Name=HKT2;2)

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