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Receptor Information

>6rf1 Chain A (length=273) Species: 308116 (Dokdonia eikasta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QELGNANFENFIGATEGFSEIAYQFTSHILTLGYAVMLAGLLYFILTIKN
VDKKFQMSNILSAVVMVSAFLLLYAQAQNWTSSFTFNEEVGRYFLDPSGD
LFNNGYRYLNWLIDVPMLLFQILFVVSLTTSKFSSVRNQFWFSGAMMIIT
GYIGQFYEVSNLTAFLVWGAISSAFFFHILWVMKKVINEGKEGISPAGQK
ILSNIWILFLISWTLYPGAYLMPYLTGVDGFLYSEDGVMARQLVYTIADV
SSKVIYGVLLGNLAITLSKNKEL

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

6rf1 Chain A Residue 315 [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	6rf1 Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	W113 M149 S174 F178 W215 Y218 P219 Y222 S254 K255
Binding residue (residue number reindexed from 1)	W111 M147 S172 F176 W213 Y216 P217 Y220 S252 K253
Annotation score	4

Enzyme Commision number

PDB	RCSB:6rf1, PDBe:6rf1, PDBj:6rf1
PDBsum	6rf1
PubMed	30989112
UniProt	N0DKS8

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Structure of PDB 6rf1 Chain A Binding Site BS02