Structure of PDB 7e4g Chain A Binding Site BS01

Receptor Information
>7e4g Chain A (length=199) Species: 2591838 (Asgard group archaeon) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEQIIFYLGIGMFILSTIMFFFLKKKNAKLASINIIVSFVTIVSYILMLS
GLFTLSATSGDTIYWTRWAFYAVSCSFLMVEISYLLRIDNTTRLEILVFN
SMVMITGLFASISEDLYKWLFFIISSVAYLNVLFLIAKNRSEKKAIILFV
AIFWSGFPIVWILSPAGLMVLNAFWTALFYLVLDFITKIYFGFHTTFKH
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 chain7e4g Chain A Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7e4g Crystal structure of schizorhodopsin reveals mechanism of inward proton pumping.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		W68 Y71 C75 M104 F122 S125 Y129 W154 F157 P158 K188
Binding residue
(residue number reindexed from 1)		W68 Y71 C75 M104 F122 S125 Y129 W154 F157 P158 K188
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0009881 photoreceptor activity
GO:0046872 metal ion binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0007602 phototransduction
GO:0034220 monoatomic ion 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:7e4g, PDBe:7e4g, PDBj:7e4g
PDBsum7e4g
PubMed33790007
UniProtA0A524F8J2

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