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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 ID

RET

InChI

InChI=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+

InChIKey

NCYCYZXNIZJOKI-OVSJKPMPSA-N

SMILES

Software	SMILES
CACTVS 3.370	CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
ACDLabs 12.01	O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C
OpenEye OEToolkits 1.7.0	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
OpenEye OEToolkits 1.7.0	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
CACTVS 3.370	CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C

Formula

C20 H28 O

Name

RETINAL

PDB chain

6rf0 Chain C Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6rf0 Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Resolution	3.0 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 score	4

Enzyme Commision number

PDB	RCSB:6rf0, PDBe:6rf0, PDBj:6rf0
PDBsum	6rf0
PubMed	30989112
UniProt	N0DKS8

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Structure of PDB 6rf0 Chain C Binding Site BS02