Structure of PDB 8wew Chain A Binding Site BS01

Receptor Information
>8wew Chain A (length=233) Species: 362976 (Haloquadratum walsbyi DSM 16790) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPGSEATWLWIGTIGMVLGTVYFAVRGRGSTDPEQQTYYIITTLIPAIAA
AAYLAMATGLGVISMPIRGTEVIDIYWARYADWLLTTPLLIIDLALVAGA
RKQTLYKLIIIDAIMILGGLAGSMMQQGAVIRIVWWAVSTAAFIILLYYL
LGELSERARSRSAETGIVFNRLRNITLGLWALYPIVWILGTGGGFGIIAV
TTEIMLYVMLDIGTKIGFGAVLLESQDVLQAAS
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 chain8wew Chain A 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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PDB8wew Crystal structure of Haloquadratum walsbyi middle rhodopsin at 2.5 Angstroms resolution.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		W85 T89 M117 S141 W182 Y185 P186 W189 T216 K217
Binding residue
(residue number reindexed from 1)		W83 T87 M115 S139 W180 Y183 P184 W187 T214 K215
Annotation score4
External links
PDB RCSB:8wew, PDBe:8wew, PDBj:8wew
PDBsum8wew
PubMed
UniProtQ18DH5|BACRM_HALWD Bacteriorhodopsin-II-like protein (Gene Name=bop2)

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