Structure of PDB 5dye Chain B Binding Site BS01

Receptor Information
>5dye Chain B (length=243) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VCSVAFLKAVFAEFLATLIFVFFGLGSALKWPSALPTILQIALAFGLAIG
TLAQALGPVSGGHINPAITLALLVGNQISLLRAFFYVAAQLVGAIAGAGI
LYGVAPLNARGNLAVNALNNNTTQGQAMVVELILTFQLALCIFASTDSRR
TEPVGSPALSIGLSVTLGHLVGIYFTGCSMNPARSFGPAVVMNRFSPAHW
VFWVGPIVGAVLAAILYFYLLFPNSLSLSERVAIIKGTYEPDE
Ligand information
Ligand IDPS6
InChIInChI=1S/C26H50NO10P/c1-3-5-7-8-9-10-11-12-13-14-16-17-24(28)34-19-22(37-25(29)18-15-6-4-2)20-35-38(32,33)36-21-23(27)26(30)31/h22-23H,3-21,27H2,1-2H3,(H,30,31)(H,32,33)/t22-,23+/m0/s1
InChIKeyHXSPCZGHXODQMW-XZOQPEGZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@H](C(=O)O)N)OC(=O)CCCCC
CACTVS 3.341CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](O)(=O)OC[C@@H](N)C(O)=O)OC(=O)CCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC
CACTVS 3.341CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCC
ACDLabs 10.04O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCC)CCCCC
FormulaC26 H50 N O10 P
NameO-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine
ChEMBL
DrugBank
ZINCZINC000058649698
PDB chain5dye Chain B Residue 301 [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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PDB5dye Plasma Membrane Abundance of Human Aquaporin 5 Is Dynamically Regulated by Multiple Pathways.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		G159 S160 L163
Binding residue
(residue number reindexed from 1)		G155 S156 L159
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0015250 water channel activity
GO:0015267 channel activity
GO:0042802 identical protein binding
Biological Process
GO:0006833 water transport
GO:0015670 carbon dioxide transport
GO:0030157 pancreatic juice secretion
GO:0042476 odontogenesis
GO:0046541 saliva secretion
GO:0048593 camera-type eye morphogenesis
GO:0051289 protein homotetramerization
GO:0055085 transmembrane transport
GO:0071476 cellular hypotonic response
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005886 plasma membrane
GO:0005902 microvillus
GO:0009925 basal plasma membrane
GO:0016020 membrane
GO:0016324 apical plasma membrane
GO:0030659 cytoplasmic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5dye, PDBe:5dye, PDBj:5dye
PDBsum5dye
PubMed26569106
UniProtP55064|AQP5_HUMAN Aquaporin-5 (Gene Name=AQP5)

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