Structure of PDB 6kfq Chain A Binding Site BS01

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 IDMPG
InChIInChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(24)20(23)19-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1
InChIKeyJPJYKWFFJCWMPK-GDCKJWNLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCC\C=C/CCCCCCCCOC(=O)[C@H](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O
CACTVS 3.385CCCCCCCCC=CCCCCCCCCOC(=O)[CH](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCCC=CCCCCCCCCOC(=O)C(CO)O
FormulaC21 H40 O4
Name[(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
ChEMBL
DrugBankDB03831
ZINCZINC000064436846
PDB chain6kfq 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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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)		W117 I129
Binding residue
(residue number reindexed from 1)		W117 I129
Annotation score1
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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