Structure of PDB 4fbz Chain A Binding Site BS01

Receptor Information
>4fbz Chain A (length=238) Species: 121872 (Natrinema thermotolerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAATVGPESIWLWIGTIGMTLGTLYFVGRGRGVRDRKMQEFYIITTFITT
IAAAMYFAMATGFGVTEVVVGDEALTIYWARYADWLFTTPLLLLDLGLLA
GANRNTIATLIGLDVFMIGTGMIAAFAATPGTRIAWWGISTGALLALLYV
LVGTLSKDARGQSPEVASLFGRLRNLVIVLWLLYPVVWILGTEGTFGILP
LYWETAAFMVLDLSAKVGFGVVLLRSRSVLRRVVTPTA
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 chain4fbz 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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PDB4fbz Crystal structure of deltarhodopsin-3 from Haloterrigena thermotolerans
Resolution2.7 Å
Binding residue
(original residue number in PDB)		W85 T89 W137 S140 T141 W181 Y184 P185 W188 K216
Binding residue
(residue number reindexed from 1)		W85 T89 W137 S140 T141 W181 Y184 P185 W188 K216
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:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4fbz, PDBe:4fbz, PDBj:4fbz
PDBsum4fbz
PubMed23625688
UniProtI4DST7

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