Structure of PDB 8ex4 Chain A Binding Site BS01

Receptor Information
>8ex4 Chain A (length=417) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKRKAAAAILSLGNVLNYLDRYTVAGVLLDIQQHFGVKDRGAGLLQSVFI
CSFMVAAPIFGYLGDRFNRKVILSCGIFFWSAVTFSSSFIPQQYFWLLVL
SRGLVGIGEASYSTIAPTIIGDLFTKNTRTLMLSVFYFAIPLGSGLGYIT
GSSVKQAAGDWHWALRVSPVLGMITGTLILILVPATKRGSWLRDMKALIR
NRSYVFSSLATSAVSFATGALGMWIPLYLHRAQVVQKAKDSLIFGAITCF
TGFLGVVTGAGATRWCRLKTQRADPLVCAVGMLGSAIFICLIFVAAKSSI
VGAYICIFVGETLLFSNWAITADILMYVVIPTRRATAVALQSFTSHLLGD
AGSPYLIGFISDLIRQSTKDSPLWEFLSLGYALMLCPFVVVLGGMFFLAT
ALFFVSDRARAEQQVNQ
Ligand information
Ligand IDS1P
InChIInChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
InChIKeyDUYSYHSSBDVJSM-KRWOKUGFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O
CACTVS 3.352CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO[P](O)(O)=O
CACTVS 3.352CCCCCCCCCCCCCC=C[CH](O)[CH](N)CO[P](O)(O)=O
ACDLabs 11.02O=P(OCC(N)C(O)/C=C/CCCCCCCCCCCCC)(O)O
FormulaC18 H38 N O5 P
Name(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate;
sphingosine 1-phosphate
ChEMBLCHEMBL225155
DrugBank
ZINCZINC000008860500
PDB chain8ex4 Chain A Residue 601 [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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PDB8ex4 Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate.
Resolution2.93 Å
Binding residue
(original residue number in PDB)		Y120 Y235 F236 P239 L332 V378 E433 F437 W440
Binding residue
(residue number reindexed from 1)		Y22 Y137 F138 P141 L221 V256 E311 F315 W318
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0022857 transmembrane transporter activity
Biological Process
GO:0055085 transmembrane transport

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:8ex4, PDBe:8ex4, PDBj:8ex4
PDBsum8ex4
PubMed37224812
UniProtQ8IVW8|SPNS2_HUMAN Sphingosine-1-phosphate transporter SPNS2 (Gene Name=SPNS2)

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