Structure of PDB 6is6 Chain A Binding Site BS01

Receptor Information
>6is6 Chain A (length=250) Species: 1803816 (Thermoplasmatales archaeon SG8-52-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEEINFRKFRIFNGIMGVIHLIQVFLVLYLSNNFSLPITVNKPVYNEITN
SISPVAETLFSIEIGPLVAMFLFISATAHILIATVLYYRYVQNLKNHMNP
YRWFEYSISASFMIVIIAMLTTIYDLGTLLALFTLTAVMNLMGLMMELHN
QTTQNTNWTSYIIGCIAGFVPWIVIFIPLISAESVPDFVIYIFISIAIFF
NCFAINMYLQYKKIGKWKNYLHGEKVYIILSLVAKSALAWQVFAGTLRPM
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 chain6is6 Chain A Residue 313 [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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PDB6is6 Crystal structure of heliorhodopsin.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		W106 Y109 A113 M116 M142 N143 Y164 C168 F203 F206 K238
Binding residue
(residue number reindexed from 1)		W103 Y106 A110 M113 M139 N140 Y161 C165 F200 F203 K235
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042802 identical protein binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6is6, PDBe:6is6, PDBj:6is6
PDBsum6is6
PubMed31554965
UniProtA0A151EDA9

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