Structure of PDB 8cqd Chain D Binding Site BS01

Receptor Information
>8cqd Chain D (length=242) Species: 86473 (uncultured Gammaproteobacteria bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGKLLLILGSVIALPTFLAGGGDLDASDYTGVSFWLVTAALLASTVFFFV
ERDRVSAKWKTSLTVSGLVTGIAFWHYMYMRGVWIETGDSPTVFRYIDWL
LTVPLLICEFYLILAAATNVAGSLFKKLLVGSLVMLVFGYMGEAGIMAAW
PAFIIGCLAWVYMIYELWAGEGKSACNTASPAVQSAYNTMMYIIIFGWAI
YPVGYFTGYLNLNLIYNLADFVNKILFGLIIWNVAVKESSNA
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 chain8cqd Chain D 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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PDB8cqd Structural insights into proteorhodopsin biogenesis and retinal scavenging
Resolution3.54 Å
Binding residue
(original residue number in PDB)		W99 M135 G156 Y201 Y205 K232
Binding residue
(residue number reindexed from 1)		W99 M135 G156 Y201 Y205 K224
Annotation score4
External links
PDB RCSB:8cqd, PDBe:8cqd, PDBj:8cqd
PDBsum8cqd
PubMed39138159
UniProtQ6J4G7|PRRG_UNKP Green-light absorbing proteorhodopsin

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