Structure of PDB 2l6x Chain A Binding Site BS01

Receptor Information
>2l6x Chain A (length=235) Species: 133804 (uncultured marine gamma proteobacterium EBAC31A08) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGGGDLDASDYTGVSFWLVTAALLASTVFFFVERDRVSAKWKTSLTVSGL
VTGIAFWHYMYMRGVWIETGDSPTVFRYIDWLLTVPLLICEFYLILAAAT
NVAGSLFKKLLVGSLVMLVFGYMGEAGIMAAWPAFIIGCLAWVYMIYELW
AGEGKSACNTASPAVQSAYNTMMYIIIFGWAIYPVGYFTGYLMGDGGSAL
NLNLIYNLADFVNKILFGLIIWNVAVKESSNAPGG
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 chain2l6x Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2l6x Solution NMR structure of proteorhodopsin.
ResolutionN/A
Binding residue
(original residue number in PDB)		W98 F137 A151 I154 G155 W197 Y200 D227 N230 K231
Binding residue
(residue number reindexed from 1)		W81 F120 A134 I137 G138 W180 Y183 D210 N213 K214
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0009881 photoreceptor activity
GO:0010461 light-activated monoatomic ion channel 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:2l6x, PDBe:2l6x, PDBj:2l6x
PDBsum2l6x
PubMed22034093
UniProtQ9F7P4|PRRG_PRB01 Green-light absorbing proteorhodopsin

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