Structure of PDB 6su3 Chain X Binding Site BS01

Receptor Information
>6su3 Chain X (length=256) Species: 1883427 (Actinomycetes bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPTVKEIKSLQNFNRIAGVFHLLQMLAVLALANDFALPMTGTYLNGPPGT
TFSAPVVILETPVGLAVALFLGLSALFHFIVSSGNFFKRYSASLMKNQNI
FRWVEYSLSSSVMIVLIAQICGIADIVALLAIFGVNASMILFGWLQEKYT
QPKDGDLLPFWFGCIAGIVPWIGLLIYVIAPGSTSDVAVPGFVYGIIISL
FLFFNSFALVQYLQYKGKGKWSNYLRGERAYIVLSLVAKSALAWQIFSGT
LIPALE
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 chain6su3 Chain X Residue 317 [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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PDB6su3 High-resolution structural insights into the heliorhodopsin family.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Y108 S112 M115 M141 I142 G145 F162 F206 F209 A210 Q213 K241
Binding residue
(residue number reindexed from 1)		Y106 S110 M113 M139 I140 G143 F160 F204 F207 A208 Q211 K239
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6su3, PDBe:6su3, PDBj:6su3
PDBsum6su3
PubMed32034096
UniProtA0A2R4S913

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