Structure of PDB 2z55 Chain E Binding Site BS02

Receptor Information
>2z55 Chain E (length=238) Species: 29285 (Halobacterium sp. AUS-2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QAGFDLLNDGRPETLWLGIGTLLMLIGTFYFIARGWGVTDKEAREYYAIT
ILVPGIASAAYLAMFFGIGVTEVELASGTVLDIYYARYADWLFTTPLLLL
DLALLAKVDRVTIGTLIGVDALMIVTGLIGALSKTPLARYTWWLFSTIAF
LFVLYYLLTSLRSAAAKRSEEVRSTFNTLTALVAVLWTAYPILWIVGTEG
AGVVGLGIETLAFMVLDVTAKVGFGFVLLRSRAILGET
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 chain2z55 Chain E Residue 260 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2z55 Structural role of bacterioruberin in the trimeric structure of archaerhodopsin-2
Resolution2.5 Å
Binding residue
(original residue number in PDB)		W91 T95 S146 F150 W187 Y190 W194 D217 K221
Binding residue
(residue number reindexed from 1)		W91 T95 S146 F150 W187 Y190 W194 D217 K221
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:2z55, PDBe:2z55, PDBj:2z55
PDBsum2z55
PubMed18082767
UniProtP29563|BACR2_HALS2 Archaerhodopsin-2

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