Structure of PDB 6eyu Chain B Binding Site BS05

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 310 [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)		L63 N64
Binding residue
(residue number reindexed from 1)		L63 N64
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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