Structure of PDB 8k66 Chain A Binding Site BS03

Receptor Information
>8k66 Chain A (length=443) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YFVNFVVLAHRFIALHIHPFWIQLSYFLLISILGSVLLMFLKPSNPEFRP
GYIDMLFLSTSALTLSSLITIEMEVLSSSQIVVITLLMLLGGEVFVSFLG
LMLRLRSKRLRWFLGFVVFSYFVVIHVAGFLLVLWYISRVSSAKAPLKKK
GINIALFSFSVTVSSFANVGLVPTNENMAIFSKNPGLLLLFIGQILAGNT
LYPLFLRLLIWFLGKVTKLRELKLMIKNPEELQYDYLLPKLPTAFLASTV
IGLMASLVTLFGAVDWNSSVFDGLSSYQKIINALFMAVNARHSGENSIDC
SLIAPAVLVLFIILMYLPPSTTFALSKLGLVVQNLAFSQLACISVFVIVA
FITERSRLRNDPLNFSALNMIFEIISAYGNVGLSTGYSCSRLQKLHPGSI
CQDKPYSLSGWWSDEGKLLLVFVMLYGRLKAFTKGTGEYWRLW
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 chain8k66 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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PDB8k66 Structural insights into ion selectivity and transport mechanism of plant HKT transporters
Resolution2.53 Å
Binding residue
(original residue number in PDB)		Y210 S216 G260 L263
Binding residue
(residue number reindexed from 1)		Y136 S142 G186 L189
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008324 monoatomic cation transmembrane transporter activity
GO:0015081 sodium ion transmembrane transporter activity
GO:0015293 symporter activity
Biological Process
GO:0006812 monoatomic cation transport
GO:0006813 potassium ion transport
GO:0006814 sodium ion transport
GO:0030001 metal ion transport
GO:0035725 sodium ion transmembrane transport
GO:0055075 potassium ion homeostasis
GO:0055085 transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8k66, PDBe:8k66, PDBj:8k66
PDBsum8k66
PubMed38570642
UniProtQ0D9S3|HKT21_ORYSJ Cation transporter HKT2;1 (Gene Name=HKT2;1)

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