Structure of PDB 6sqg Chain A Binding Site BS01

Receptor Information
>6sqg Chain A (length=210) Species: 938083 (Organic Lake phycodnavirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDLIEYSFYLTYAFLMTTGTITFIEALRTKNESVRHILNLETCISVVAAF
FYSNFIGKLEHINYEEINLNRYVDWAITTPIMLLVLVLAFRVNQTNKAMV
KFSDFMIILGMNYGMLGTGYLGDIGVIHKTMGTVLGFLFFGGLFYKLNTL
RTSNASNDLLYGAFFVLWALYGVFYQMEQLPRNVGYNVLDLFSKCFVGIY
FWAFYAKIFT
Ligand information
Ligand IDRET
InChIInChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKeyNCYCYZXNIZJOKI-OVSJKPMPSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
ACDLabs 12.01O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
CACTVS 3.370CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
FormulaC20 H28 O
NameRETINAL
ChEMBLCHEMBL81379
DrugBank
ZINCZINC000004228262
PDB chain6sqg Chain A Residue 318 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6sqg Unique structure and function of viral rhodopsins.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W76 T80 M83 M116 G137 W169 Y172 G173 Y176 D191 K195
Binding residue
(residue number reindexed from 1)		W75 T79 M82 M115 G136 W168 Y171 G172 Y175 D190 K194
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0009881 photoreceptor activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0007602 phototransduction
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
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:6sqg, PDBe:6sqg, PDBj:6sqg
PDBsum6sqg
PubMed31666521
UniProtF2Y2Z0

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