Structure of PDB 1uaz Chain B Binding Site BS01

Receptor Information
>1uaz Chain B (length=236) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAAVGADLLGDGRPETLWLGIGTLLMLIGTFYFIVKGWGVTDKEAREYYS
ITILVPGIASAAYLSMFFGIGLTEVQVGSEMLDIYYARYADWLFTTPLLL
LDLALLAKVDRVSIGTLVGVDALMIVTGLVGALSHTPLARYTWWLFSTIC
MIVVLYFLATSLRAAAKERGPEVASTFNTLTALVLVLWTAYPILWIIGTE
GAGVVGLGIETLLFMVLDVTAKVGFGFILLRSRAIL
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 chain1uaz Chain B Residue 255 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uaz X-ray crystallographic studies of archaerhodopsin
Resolution3.4 Å
Binding residue
(original residue number in PDB)		W92 T96 M124 S147 T148 W188 Y191 P192 W195 D218 K222
Binding residue
(residue number reindexed from 1)		W92 T96 M124 S147 T148 W188 Y191 P192 W195 D218 K222
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1uaz, PDBe:1uaz, PDBj:1uaz
PDBsum1uaz
PubMed
UniProtP69051|BACR1_HALEZ Archaerhodopsin-1

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