Structure of PDB 8k69 Chain B Binding Site BS04

Receptor Information
>8k69 Chain B (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 IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain8k69 Chain B Residue 706 [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)		I199 L264 G267 F279 I282 F286
Binding residue
(residue number reindexed from 1)		I127 L192 G195 F207 I210 F214
Annotation score4
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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