Structure of PDB 8iwo Chain B Binding Site BS01

Receptor Information
>8iwo Chain B (length=956) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPDDAVLFVGVSLVLGIASRHLLRGTRVPYTVALLVLGVALGSLEFGTKH
GMGKLGAGIRIWANINPDLLLAVFLPALLFESSFSMEIHQIKKCMAQMVL
LAGPGVLISTFFLGSALKLTFPYNWNWKTSLLLGGLLSATDPVAVVALLK
ELGASKKLSTIIEGESLMNDGTAIVVYQLFYRMVLGRTFDAGSIIKFLSE
VSLGAVALGLAFGIASVLWLGFIFNDTIIEIALTLAVSYIAFFTAQDALE
VSGVLTVMTLGMFYAAFAKTAFKGDSQQSLHHFWEMVAYIANTLIFILSG
VVIADGVLENNVHFERHGASWGFLLLLYVFVQISRILVVVILYPLLRHFG
YGLDLKEATILVWAGLRGAVALSLSLSVKRASDAVQTHLKPVDGTMFVFF
TGGIVFLTLIFNGSTTQFLLHLLGMDRLAATKLRILNYTKYEMLNKALEA
FGDLRDDEELGPPADWVTVKKYITCLNDLHTMNLRDIRVRLLNGVQAAYW
GMLEEGRITQTTANILMRSVDEAMDLVPTQELCDWKGLRSNVHFPNYYRF
LQMSRLPRRLITYFTVERLESGCYICAAFLRAHRIARRQLHDFLGDSEVA
RIVIDESNAEGEEARKFLEDVRVTFPQVLRVLKTRQVTYSVLTHLSEYIQ
NLQKTGLLEEKEMAHLDDALQTDLKKFKRNPPLVKMPRVSDLLNTHPLVG
ALPAAMRDPLLSSTKETVKGHGTILYREGSRPTGIWLVSIGVVKWTSQRL
SSRHSLDPILSHGSTLGLYEVLIGKPYICDMITDSVVHCFFIEAEKIEQL
RQSDPSIEIFLWQESALVVARLLLPMMFEKMATHELRVLITERSTMNIYI
KGEEIELEQNFIGILLEGFLKTKNQTLITPPGLLLPPNADLNLFGLESSA
INRIDYCYTAPSYQVEARARILFVEIGKEHSGLLSWPESASFSARALQLS
MYGSMI
Ligand information
Ligand ID46E
InChIInChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1
InChIKeyNEZDNQCXEZDCBI-WJOKGBTCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC
ACDLabs 12.01O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC
FormulaC33 H66 N O8 P
Name(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate
ChEMBL
DrugBank
ZINCZINC000032793028
PDB chain8iwo Chain B Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8iwo Structure and activation mechanism of the rice Salt Overly Sensitive 1 (SOS1) Na + /H + antiporter.
Resolution3.09 Å
Binding residue
(original residue number in PDB)		I67 W68 N72 Y245
Binding residue
(residue number reindexed from 1)		I61 W62 N66 Y239
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015297 antiporter activity
GO:0015385 sodium:proton antiporter activity
GO:0015386 potassium:proton antiporter activity
Biological Process
GO:0006812 monoatomic cation transport
GO:0006813 potassium ion transport
GO:0006814 sodium ion transport
GO:0051453 regulation of intracellular pH
GO:0055085 transmembrane transport
GO:0071805 potassium ion transmembrane transport
GO:0098719 sodium ion import across plasma membrane
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8iwo, PDBe:8iwo, PDBj:8iwo
PDBsum8iwo
PubMed37884653
UniProtQ5ICN3

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