Structure of PDB 8cqc Chain E Binding Site BS01

Receptor Information
>8cqc Chain E (length=217) Species: 86473 (uncultured Gammaproteobacteria bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DASDYTGVSFWLVTAALLASTVFFFVERDRVSAKWKTSLTVSGLVTGIAF
WHYMYMRGVWIETGDSPTVFRYIDWLLTVPLLICEFYLILAAATNVAGSL
FKKLLVGSLVMLVFGYMGEAGIMAAWPAFIIGCLAWVYMIYELWAGEGKS
ACNTASPAVQSAYNTMMYIIIFGWAIYPVGYFTGYLNLNLIYNLADFVNK
ILFGLIIWNVAVKESSN
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 chain8cqc Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8cqc Structural insights into proteorhodopsin biogenesis and retinal scavenging
Resolution2.82 Å
Binding residue
(original residue number in PDB)		Y96 W99 V103 M135 G139 G156 W198 Y201 K232
Binding residue
(residue number reindexed from 1)		Y72 W75 V79 M111 G115 G132 W174 Y177 K200
Annotation score4
External links
PDB RCSB:8cqc, PDBe:8cqc, PDBj:8cqc
PDBsum8cqc
PubMed39138159
UniProtQ6J4G7|PRRG_UNKP Green-light absorbing proteorhodopsin

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