Structure of PDB 7q88 Chain A Binding Site BS01

Receptor Information
>7q88 Chain A (length=219) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVGLTTLFWLGAIGMLVGTLAFAWAGRDAGSGERRYYVTLVGISGIAAVA
YVVMALGVGWVPVAERTVFAPRYIDWILTTPLIVYFLGLLAGLDSREFGI
VITLNTVVMLAGFAGAMVPGIERYALFGMGAVAFLGLVYYLVGPMTESAS
QRSSGIKSLYVRLRNLTVILWAIYPFIWLLGPPGVALLTPTVDVALIVYL
DLVTKVGFGFIALDAAATL
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 chain7q88 Chain A Residue 300 [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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PDB7q88 Structural basis of the prolonged photocycle of Sensory Rhodopsin II revealed by serial millisecond crystallography
Resolution Å
Binding residue
(original residue number in PDB)		W76 T80 V108 M109 F134 W171 Y174 P175 T204 K205
Binding residue
(residue number reindexed from 1)		W76 T80 V108 M109 F134 W171 Y174 P175 T204 K205
Annotation score4
External links