Structure of PDB 6lm1 Chain A Binding Site BS01

Receptor Information
>6lm1 Chain A (length=226) Species: 2005459 (Tolypothrix sp. NIES-4075) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMTQLALIGLWIGFIGMVIGAVIFGQKAVAMRRKEGMEFPLKSFFIVLWA
GALYLTMILGETVTPVQTVFWGRYVDWVVTTPVLLLDLGVLAGLRPKLIA
GVIAADIFMILTGLVATLEAPPTSYLWYIISCGAFIAILASLLTEFTASA
ARRNVRVNNLFLKLRNYLIVLWICYPIVWLLGAEAFKIIPTGVEVVIYAI
IDIAAKVGFGLILTSAAPEILAQASN
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 chain6lm1 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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PDB6lm1 A unique clade of light-driven proton-pumping rhodopsins evolved in the cyanobacterial lineage.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W78 T82 Y129 S132 F136 W173 Y176 P177 K207
Binding residue
(residue number reindexed from 1)		W77 T81 Y128 S131 F135 W172 Y175 P176 K206
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0009881 photoreceptor activity
GO:0046872 metal ion binding
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:6lm1, PDBe:6lm1, PDBj:6lm1
PDBsum6lm1
PubMed33028840
UniProtA0A218QMM7

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