Structure of PDB 1vgo Chain B Binding Site BS01

Receptor Information
>1vgo Chain B (length=235) Species: 29285 (Halobacterium sp. AUS-2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLLNDGRPETLWLGIGTLLMLIGTFYFIARGWGVTDKEAREYYAITILVP
GIASAAYLAMFFGIGVTEVELASGTVLDIYYARYADWLFTTPLLLLDLAL
LAKVDRVTIGTLIGVDALMIVTGLIGALSKTPLARYTWWLFSTIAFLFVL
YYLLTSLRSAAAKRSEEVRSTFNTLTALVAVLWTAYPILWIVGTEGAGVV
GLGIETLAFMVLDVTAKVGFGFVLLRSRAILGETE
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 chain1vgo Chain B Residue 261 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1vgo Crystal structures of archaerhodopsin-1 and -2: Common structural motif in archaeal light-driven proton pumps
Resolution2.5 Å
Binding residue
(original residue number in PDB)		W91 T95 M123 W143 S146 W187 Y190 P191 W194 K221
Binding residue
(residue number reindexed from 1)		W87 T91 M119 W139 S142 W183 Y186 P187 W190 K217
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0009881 photoreceptor activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0007602 phototransduction
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1vgo, PDBe:1vgo, PDBj:1vgo
PDBsum1vgo
PubMed16540121
UniProtP29563|BACR2_HALS2 Archaerhodopsin-2

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