Structure of PDB 2ei4 Chain A Binding Site BS02

Receptor Information
>2ei4 Chain A (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 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 chain2ei4 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2ei4 Structural role of bacterioruberin in the trimeric structure of archaerhodopsin-2
Resolution2.1 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2ei4, PDBe:2ei4, PDBj:2ei4
PDBsum2ei4
PubMed18082767
UniProtP29563|BACR2_HALS2 Archaerhodopsin-2

[Back to BioLiP]