Structure of PDB 8k66 Chain B Binding Site BS04

Receptor Information
>8k66 Chain B (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 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 chain8k66 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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PDB8k66 Structural insights into ion selectivity and transport mechanism of plant HKT transporters
Resolution2.53 Å
Binding residue
(original residue number in PDB)		I199 L206 L264 F279 F286
Binding residue
(residue number reindexed from 1)		I125 L132 L190 F205 F212
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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