Structure of PDB 5g28 Chain A Binding Site BS02

Receptor Information
>5g28 Chain A (length=264) Species: 1454201 (Nonlabens marinus S1-08) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNIESLFDYSAGQFEFIDHLLTMGVGVHFAALIFFLVVSQFVAPKYRIAT
ALSCIVMVSAGLILNSQAVMWTDAYAYVDGSYQLQDLTFSNGYRYVNWMA
TIPCLLLQLLIVLNLKGKELFSTATWLILAAWGMIITGYVGQLYEVDDIA
QLMIWGAVSTAFFVVMNWIVGTKIFKNRATMLGGTDSTITKVFWLMMFAW
TLYPIAYLVPAFMNNADGVVLRQLLFTIADISSKVIYGLMITYIAIQQSA
AAGYVPAQQALGRI
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 chain5g28 Chain A Residue 1268 [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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PDB5g28 Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Resolution1.57 Å
Binding residue
(original residue number in PDB)		W99 I103 L106 M135 S160 F164 W201 Y204 P205 Y208 S234 K235
Binding residue
(residue number reindexed from 1)		W98 I102 L105 M134 S159 F163 W200 Y203 P204 Y207 S233 K234
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009881 photoreceptor activity
Biological Process
GO:0007602 phototransduction
Cellular Component
GO:0016020 membrane

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Cellular Component
External links
PDB RCSB:5g28, PDBe:5g28, PDBj:5g28
PDBsum5g28
PubMed27554809
UniProtW8VZW3

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