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Structure of PDB 6rf0 Chain C Binding Site BS02

Receptor Information
>6rf0 Chain C (length=275) Species: 308116 (Dokdonia eikasta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELGNANFENFIGATEGFSEIAYQFTSHILTLGYAVMLAGLLYFILTIKNV
DKKFQMSNILSAVVMVSAFLLLYAQAQNWTSSFTFNEEVGRYFLDPSGDL
FNNGYRYLNWLIDVPMLLFQILFVVSLTTSKFSSVRNQFWFSGAMMIITG
YIGQFYEVSNLTAFLVWGAISSAFFFHILWVMKKVINEGKEGISPAGQKI
LSNIWILFLISWTLYPGAYLMPYLTGVDGFLYSEDGVMARQLVYTIADVS
SKVIYGVLLGNLAITLSKNKELVEA
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 chain6rf0 Chain C Residue 305 [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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PDB6rf0 Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		W113 L120 M149 S174 F178 W215 Y218 Y222 S254 K255
Binding residue
(residue number reindexed from 1)		W110 L117 M146 S171 F175 W212 Y215 Y219 S251 K252
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links

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