Structure of PDB 2z55 Chain A Binding Site BS02

Receptor Information
>2z55 Chain A (length=242) 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
AGVVGLGIETLAFMVLDVTAKVGFGFVLLRSRAILGETEAPE
Ligand information
Ligand ID22B
InChIInChI=1S/C50H76O4/c1-39(23-17-25-41(3)27-19-29-43(5)31-33-45(49(11,12)53)35-37-47(7,8)51)21-15-16-22-40(2)24-18-26-42(4)28-20-30-44(6)32-34-46(50(13,14)54)36-38-48(9,10)52/h15-34,45-46,51-54H,35-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20?,33-31+,34-32?,39-21+,40-22+,41-25+,42-26?,43-29+,44-30?/t45-,46?/m1/s1
InChIKeyUVCQMCCIAHQDAF-CUMPQFAQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O
CACTVS 3.341CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O)/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O
ACDLabs 10.04OC(CCC(/C=C\C(=C\C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(CCC(O)(C)C)C(O)(C)C)C)C)C)C)C)C)C(O)(C)C)(C)C
OpenEye OEToolkits 1.5.0CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O)C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O
CACTVS 3.341CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O)C=CC=C(C)C=CC=C(C)C=C[CH](CCC(C)(C)O)C(C)(C)O
FormulaC50 H76 O4
NameBACTERIORUBERIN
ChEMBL
DrugBank
ZINC
PDB chain2z55 Chain A Residue 270 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		T112 T115 L137 F145 Y156
Binding residue
(residue number reindexed from 1)		T112 T115 L137 F145 Y156
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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