Structure of PDB 7yud Chain R Binding Site BS01

Receptor Information
>7yud Chain R (length=417) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRGAAAAILSLGNVLNYLDRYTVAGVLLDIQQHFGVKDRGAGLLQSVFIC
SFMVAAPIFGYLGDRFNRKVILSCGIFFWSAVTFSSSFIPQQYFWLLVLS
RGLVGIGEASYSTIAPTIIGDLFTKNTRTLMLSVFYFAIPLGSGLGYITG
SSVKQAAGDWHWALRVSPVLGMITGTLILILVPATSWLRDMKALIRNRSY
VFSSLATSAVSFATGALGMWIPLYLHRAQVVQKTAAKDSLIFGAITCFTG
FLGVVTGAGATRWCRLKTQRADPLVCAVGMLGSAIFICLIFVAAKSSIVG
AYICIFVGETLLFSNWAITADILMYVVIPTRRATAVALQSFTSHLLGDAG
SPYLIGFISDLIRQSTKDSPLWEFLSLGYALMLCPFVVVLGGMFFLATAL
FFVSDRARAEQQVNQLA
Ligand information
Ligand IDJ89
InChIInChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
InChIKeyLRFKWQGGENFBFO-IBGZPJMESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCc1ccc(cc1)CC[C@](CO)(COP(=O)(O)O)N
CACTVS 3.385CCCCCCCCc1ccc(CC[C](N)(CO)CO[P](O)(O)=O)cc1
OpenEye OEToolkits 2.0.7CCCCCCCCc1ccc(cc1)CCC(CO)(COP(=O)(O)O)N
CACTVS 3.385CCCCCCCCc1ccc(CC[C@](N)(CO)CO[P](O)(O)=O)cc1
FormulaC19 H34 N O5 P
Name(2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol
ChEMBLCHEMBL366208
DrugBank
ZINCZINC000014163159
PDB chain7yud Chain R 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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PDB7yud S1P-bound human SPNS2
Resolution2.98 Å
Binding residue
(original residue number in PDB)		Y116 Y120 S242 T329 E433
Binding residue
(residue number reindexed from 1)		Y17 Y21 S143 T214 E309
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0022857 transmembrane transporter activity
GO:0046624 sphingolipid transporter activity
Biological Process
GO:0001782 B cell homeostasis
GO:0002260 lymphocyte homeostasis
GO:0002920 regulation of humoral immune response
GO:0003376 sphingosine-1-phosphate receptor signaling pathway
GO:0006665 sphingolipid metabolic process
GO:0006869 lipid transport
GO:0007605 sensory perception of sound
GO:0030148 sphingolipid biosynthetic process
GO:0043029 T cell homeostasis
GO:0048073 regulation of eye pigmentation
GO:0048535 lymph node development
GO:0055085 transmembrane transport
GO:0060348 bone development
GO:0072676 lymphocyte migration
GO:2000404 regulation of T cell migration
Cellular Component
GO:0005768 endosome
GO:0005886 plasma membrane
GO:0010008 endosome membrane
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:7yud, PDBe:7yud, PDBj:7yud
PDBsum7yud
PubMed38123825
UniProtQ8IVW8|SPNS2_HUMAN Sphingosine-1-phosphate transporter SPNS2 (Gene Name=SPNS2)

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