Structure of PDB 8zap Chain A Binding Site BS01

Receptor Information
>8zap Chain A (length=258) Species: 42384 (Hyphochytrium catenoides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PFYDSRPPEGWPKGSINDMDYPLLGSICAVCCVFVAGSGIWMLYRLDLGM
GYSCKPYKSGRAPEVNSLSGIICLLCGTMYAAKSFDFFDGGGTPFSLNWY
WYLDYVFTTPLLILDFAFTLDLPHKRYFFAVFLTLWCGVAAFVTPSAYRF
AYYALGCCWFTPFALSLMRHVKERYLVYPPKCQRWLFWACVIFFGFWPMF
PILFIFSWLGTGHISQQAFYIIHAFLDLTCKSIFGILMTVFRLELEEHTE
VQGLPLNE
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 chain8zap Chain A Residue 309 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8zap 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 P203 C232 K233
Binding residue
(residue number reindexed from 1)		Y102 Y105 T109 T134 G138 Y153 G156 F160 W197 F200 P201 C230 K231
Annotation score4
External links