Structure of PDB 5fjg Chain A Binding Site BS01

Receptor Information
>5fjg Chain A (length=269) Species: 1454201 (Nonlabens marinus S1-08) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNSMKNIESLFDYSAGQFEFIDHLLTMGVGVHFAALIFFLVVSQFVAPKY
RIATALSCIVMVSAGLILNSQAVMWTDAYAYVDGSYQLQDLTFSNGYRYV
NWMATIPCLLLQLLIVLNLKGKELFSTATWLILAAWGMIITGYVGQLYEV
DDIAQLMIWGAVSTAFFVVMNWIVGTKIFKNRATMLGGTDSTITKVFWLM
MFAWTLYPIAYLVPAFMNNADGVVLRQLLFTIADISSKVIYGLMITYIAI
QQSAAAGYVPAQQALGRIG
Ligand information
Ligand IDANR
InChIInChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-14H,1,9,15H2,2-6H3/b11-8+,16-10+,17-13+,19-14-
InChIKeyFWNRILWHNGFAIN-OYUWDNMLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5CC\1=CCCC(/C1=C\C=C(/C)\C=C\C=C(/C)\C=C)(C)C
OpenEye OEToolkits 1.7.5CC1=CCCC(C1=CC=C(C)C=CC=C(C)C=C)(C)C
CACTVS 3.385CC(/C=C)=C\C=C\C(C)=C\C=C/1C(=CCCC/1(C)C)C
ACDLabs 10.04C(=C1/C(=CCCC1(C)C)C)\C=C(\C=C\C=C(\C=C)C)C
CACTVS 3.385CC(C=C)=CC=CC(C)=CC=C1C(=CCCC1(C)C)C
FormulaC20 H28
NameANHYDRORETINOL;
(6E)-6-[(2E,4E,6E)-3,7-DIMETHYLNONA-2,4,6,8-TETRAENYLIDENE]-1,5,5-TRIMETHYLCYCLOHEXENE
ChEMBL
DrugBankDB02914
ZINCZINC000049499553
PDB chain5fjg Chain A Residue 1266 [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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PDB5fjg The Crystal Structure of Light-Driven Chloride Pump Clr in Ph 4.5.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		W99 I103 M135 S160 F164 W201 Y204 Y208 S234 K235
Binding residue
(residue number reindexed from 1)		W102 I106 M138 S163 F167 W204 Y207 Y211 S237 K238
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5fjg, PDBe:5fjg, PDBj:5fjg
PDBsum5fjg
PubMed
UniProtW8VZW3

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