Structure of PDB 3ayn Chain A Binding Site BS01

Receptor Information
>3ayn Chain A (length=350) Species: 6637 (Todarodes pacificus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETWWYNPSIVVHPHWREFDQVPDAVYYSLGIFIGICGIIGCGGNGIVIYL
FTKTKSLQTPANMFIINLAFSDFTFSLVNGFPLMTISCFLKKWIFGFAAC
KVYGFIGGIFGFMSIMTMAMISIDRYNVIGRPMAASKKMSHRRAFIMIIF
VWLWSVLWAIGPIFGWGAYTLEGVLCNCSFDYISRDSTTRSNILCMFILG
FFGPILIIFFCYFNIVMSVSNHEKEMAAMAKRLNAKELRKAQAGANAEMR
LAKISIVIVSQFLLSWSPYAVVALLAQFGPLEWVTPYAAQLPVMFAKASA
IHNPMIYSVSHPKFREAISQTFPWVLTCCQFDDKETEDDKDAETEIPAGE
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 chain3ayn Chain A Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ayn Crystallographic Analysis of the Primary Photochemical Reaction of Squid Rhodopsin
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G116 G119 F120 S187 F188 M204 W274 V301 K305
Binding residue
(residue number reindexed from 1)		G108 G111 F112 S179 F180 M196 W266 V293 K297
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0008020 G protein-coupled photoreceptor activity
GO:0009881 photoreceptor activity
GO:0016918 retinal binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007601 visual perception
GO:0007602 phototransduction
GO:0009584 detection of visible light
GO:0071482 cellular response to light stimulus
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0033583 rhabdomere membrane
GO:0042995 cell projection

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3ayn, PDBe:3ayn, PDBj:3ayn
PDBsum3ayn
PubMed21906602
UniProtP31356|OPSD_TODPA Rhodopsin (Gene Name=RHO)

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