Structure of PDB 8otq Chain B Binding Site BS01

Receptor Information
>8otq Chain B (length=1051) 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
KKIAAIPMPKYKLGKLMYKICHHMAFEVTINIAIVLNIVPIIMEFVVQDK
SSLQKIEDALRISNYVFFVIYAIEAIVKILGLGRHYIVSHWNKFDAFILV
VALVDIIIAETLLKGSITINLSSIKVVKLFRLLRGLRMLRLTKALIPKLI
LVVNGKINNQLSLGYDVGKGYIIGEEEVGKIIDRMVDNKKILRELKHISE
TGRLQVVKELGLLQREHPGIAVSVKTRQAIRTILNHSRETIHELQGAGLL
DEMEAHKLELTVEIKMKRLMNAPSSIPPPPPENLLKNVSWLAGDMKLIDF
IKARASLLHFDYGEVIVREGDESDGLFLIVSGLVKLYGKSEVFEDYLTVG
NVIGEMGVLTKKPRNATVTCETTVQVYFITAEDMNIAIDTFTLYPSLEYR
LWRVVAIRIATPLIMEQMAFQGWTQEKVKLHLERGYLVDLAESHFQFNID
ATLEDVILINGTAYNAHTREEIRSPCLISRTVHKLTFQYTATEEPRLFVV
R
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 chain8otq Chain B 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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PDB8otq Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger.
Resolution3.22 Å
Binding residue
(original residue number in PDB)		N264 F268
Binding residue
(residue number reindexed from 1)		N194 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8otq, PDBe:8otq, PDBj:8otq
PDBsum8otq
PubMed37880360
UniProtA3RL54|SL9C1_STRPU Sperm-specific sodium:proton exchanger (Gene Name=SLC9C1)

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