Structure of PDB 6eyu Chain B Binding Site BS03

Receptor Information
>6eyu Chain B (length=232) Species: 889948 (Candidatus Nanosalina sp. J07AB43) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVYEAITAGGFGSQPFILAYIITAMISGLLFLYLPRKLDVPQKFGIIHFF
IVVWSGLMYTNFLNQSFLSDYAWYMDWMVSTPLILLALGLTAFHGADTKR
YDLLGALLGAEFTLVITGLLAQAQGSITPYYVGVLLLLGVVYLLAKPFRE
IAEESSDGLARAYKILAGYIGIFFLSYPTVWYISGIDALPGSLNILDPTQ
TSIALVVLPFFCKQVYGFLDMYLIHKAELEHH
Ligand information
Ligand IDMUN
InChIInChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15/h9-10,13,15-16H,2-8,11-12H2,1H3/b10-9+/t13-/m0/s1
InChIKeyINMIULFREHIAOX-LXKVQUBZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCC=CC(=O)OCC(CO)O
OpenEye OEToolkits 2.0.6CCCCCCCC/C=C/C(=O)OC[C@H](CO)O
CACTVS 3.385CCCCCCCCC=CC(=O)OC[CH](O)CO
CACTVS 3.385CCCCCCCC/C=C/C(=O)OC[C@@H](O)CO
FormulaC14 H26 O4
Name[(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-undec-2-enoate;
MONOUNDECENOIN
ChEMBL
DrugBank
ZINC
PDB chain6eyu Chain B Residue 306 [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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PDB6eyu Inward H(+) pump xenorhodopsin: Mechanism and alternative optogenetic approach.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D102 G105 G109 F112 T113
Binding residue
(residue number reindexed from 1)		D102 G105 G109 F112 T113
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6eyu, PDBe:6eyu, PDBj:6eyu
PDBsum6eyu
PubMed28948217
UniProtG0QG75

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