Structure of PDB 1e12 Chain A Binding Site BS03

Receptor Information
>1e12 Chain A (length=239) Species: 2242 (Halobacterium salinarum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RENALLSSSLWVNVALAGIAILVFVYMGRTIRPGRPRLIWGATLMIPLVS
ISSYLGLLSGLTVGMIEMPAGHALAGEMVRSQWGRYLTWALSTPMILLAL
GLLADVDLGSLFTVIAADIGMCVTGLAAAMTTSALLFRWAFYAISCAFFV
VVLSALVTDWAASASSAGTAEIFDTLRVLTVVLWLGYPIVWAVGVEGLAL
VQSVGATSWAYSVLDVFAKYVFAFILLRWVANNERTVAV
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 chain1e12 Chain A Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1e12 Structure of Light-Driven Chloride Pump Halorhodopsin at 1.8 A Resolution
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W112 T116 M144 S168 F172 W207 Y210 P211 K242
Binding residue
(residue number reindexed from 1)		W89 T93 M121 S145 F149 W184 Y187 P188 K219
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: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:1e12, PDBe:1e12, PDBj:1e12
PDBsum1e12
PubMed10827943
UniProtP0DMH7|BACH_HALSA Halorhodopsin (Gene Name=hop)

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