Structure of PDB 8otw Chain A Binding Site BS01

Receptor Information
>8otw Chain A (length=689) Species: 7668 (Strongylocentrotus purpuratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HAHAPKVIVFISGSCLFGAISRSLFKKLPIPYTVVLLILGAILGVVASNV
PLVEEHTRDVAHMDPHVLLQIFLPVLIFESAFAMDVHTFMRSFSQVCILA
LFGLVVASVLTAVLAMNLFNYNWNFSEAMMFGAIMSATDPVAVVALLKDL
GASKQLGTIIEGESLLNDGCAIVIFNVFMKMVFFPQLTSTVGQNVLYFLQ
VAVAGPLWGYAVAKVTVFFLSHIFNDALVEITITLAATYLTYYIGDIWLE
VSGVLAVVVLGLIVNAEKTSISPEVEVFLHRFWEMLAYLANTLIFMMVGV
VVTQKALVAVDKMDWFYLIILYLAITIIRGMVISLFSPILSRIGYGLTWR
NAVIMTWGGLRGAVGLALALVVENLAGNDVIGSKFLFHTAGIVVLTLVIN
ATTIQTLLRILGMSDISIPKRLAMAGAVRRIHEGQNRTLNMLKSDRFLAD
ADWDIATAACEISDPYSAREFADMMEEARLRMLKAEKISYWKQFEHGMLA
REALRLLVQHAEVAADEKDQFILVDDLKKSWQIKGIYPWLKRKLEDLISE
LTKALIPKLILVVNGKINNQLSLGYDVGKGYIIGEEEVGKIIDRMVDNKK
ILRELKHISETGRLQVVKELGLLQREHPGIAVSVKTRQAIRTILNHSRET
IHELQGAGLLDEMEAHKLELTVEIKMKRLMNAPSSIPPP
Ligand information
Ligand IDCPL
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
InChIKeyJLPULHDHAOZNQI-ZTIMHPMXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C=C\CCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
FormulaC42 H80 N O8 P
Name1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE
ChEMBL
DrugBankDB02306
ZINC
PDB chain8otw Chain A Residue 1401 [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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PDB8otw Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger.
Resolution3.68 Å
Binding residue
(original residue number in PDB)		I244 T258 S259 N264 Y267 F268
Binding residue
(residue number reindexed from 1)		I174 T188 S189 N194 Y197 F198
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015297 antiporter activity
GO:0015385 sodium:proton antiporter activity
Biological Process
GO:0006812 monoatomic cation transport
GO:0055085 transmembrane transport
GO:1902600 proton transmembrane transport
Cellular Component
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:8otw, PDBe:8otw, PDBj:8otw
PDBsum8otw
PubMed37880360
UniProtA3RL54|SL9C1_STRPU Sperm-specific sodium:proton exchanger (Gene Name=SLC9C1)

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