Structure of PDB 6kfq Chain A Binding Site BS06

Receptor Information
>6kfq Chain A (length=229) Species: 266117 (Rubrobacter xylanophilus DSM 9941) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEALWLWIGFVGMLLGTLYFAFLLTNAPEGTRYFFVITATITGIAAIAYL
VMATGSGSTVLPDGREFYWARYIDWVITTPLLLLDLCLLALADPRRNVTF
IASLIALDVVMILTGLWAGATVNVAGRAILFIISTAAFIGVLYLLVSRLF
AEASRRTPAVAQIFRTLAVLTIVLWICYPIVWLIGTEGFGAVSLSVEVFL
FMVLDLLAKVGFGLLLLSSRQALSDIGSG
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 chain6kfq Chain A Residue 317 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6kfq How Does a Microbial Rhodopsin RxR Realize Its Exceptionally High Thermostability with the Proton-Pumping Function Being Retained?
Resolution1.84 Å
Binding residue
(original residue number in PDB)		W75 T79 F131 S134 F138 W175 Y178 P179 W182 K209
Binding residue
(residue number reindexed from 1)		W75 T79 F131 S134 F138 W175 Y178 P179 W182 K209
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:6kfq, PDBe:6kfq, PDBj:6kfq
PDBsum6kfq
PubMed31955569
UniProtQ1AUE6

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