Structure of PDB 8zao Chain B Binding Site BS01

Receptor Information
>8zao 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
WYLDYVFTCPLLILDFAFTLDLPHKIRYFFAVFLTLWCGVAAFVTPSAYR
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 chain8zao Chain B Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8zao Channelrhodopsins with distinct chromophores and binding patterns.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Y103 Y106 C110 T136 G140 Y155 G158 F162 W199 F202 P203 D229 C232 K233
Binding residue
(residue number reindexed from 1)		Y102 Y105 C109 T135 G139 Y154 G157 F161 W198 F201 P202 D228 C231 K232
Annotation score4
External links