Structure of PDB 8zaq Chain B Binding Site BS01

Receptor Information
>8zaq Chain B (length=259) Species: 42384 (Hyphochytrium catenoides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PFYDSRPPEGWPKGSINDMDYPLLGSICAVCCVFVAGSGIWMLYRLDLGM
GYSCKPYKSGRAPEVNSLSGIICLLCGTMYAAKSFDFFDGGGTPFSLNWY
WYLDYVFTTPLLILDFAFTLDLPHKIRYFFAVFLTLWCGVAAFVTPSAYR
FAYYALGCCWFTPFALSLMRHVKERYLVYPPKCQRWLFWACVIFFGFWPM
FPILFIFSWLGTGHISQQAFYIIHAFLDLTCKSIFGILMTVFRLELEEHT
EVQGLPLNE
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 chain8zaq Chain B Residue 309 [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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PDB8zaq Channelrhodopsins with distinct chromophores and binding patterns.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Y103 Y106 T110 T136 G140 Y155 G158 F162 W199 F202 D229 K233
Binding residue
(residue number reindexed from 1)		Y102 Y105 T109 T135 G139 Y154 G157 F161 W198 F201 D228 K232
Annotation score4
External links