Structure of PDB 4qi1 Chain C Binding Site BS03

Receptor Information
>4qi1 Chain C (length=228) Species: 362976 (Haloquadratum walsbyi DSM 16790) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGVEGEGIWLALGTIGMLLGMLYFIADGLDVQDPRQKEFYVITILIPAIA
AASYLSMFFGFGLTEVSLANGRVVDVYWARYADWLFTTPLLLLDIGLLAG
ASQRDIGALVGIDAFMIVTGLVATLTKVVVARYAFWTISTISMVFLLYYL
VAVFGEAVSDADEDTRSTFNALRNIILVTWAIYPVAWLVGTEGLALTGLY
GETLLFMVLDLVAKVGFGFILLRSRAIM
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 chain4qi1 Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qi1 Structural and Functional Studies of a Newly Grouped Haloquadratum walsbyi Bacteriorhodopsin Reveal the Acid-resistant Light-driven Proton Pumping Activity.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		W94 T98 M126 W146 S149 T150 M153 W190 Y193 P194 W197 K224
Binding residue
(residue number reindexed from 1)		W84 T88 M116 W136 S139 T140 M143 W180 Y183 P184 W187 K214
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:4qi1, PDBe:4qi1, PDBj:4qi1
PDBsum4qi1
PubMed26483542
UniProtQ18DH8|BACR1_HALWD Bacteriorhodopsin-I (Gene Name=bop1)

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