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Receptor Information

>6rex Chain E (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

6rex Chain E 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	6rex Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Resolution	2.7 Å
Binding residue (original residue number in PDB)	W113 L120 M149 S174 F178 W215 Y218 P219 Y222 K255
Binding residue (residue number reindexed from 1)	W111 L118 M147 S172 F176 W213 Y216 P217 Y220 K253
Annotation score	4

Enzyme Commision number

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

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Structure of PDB 6rex Chain E Binding Site BS02