Structure of PDB 5g2d Chain A Binding Site BS01

Receptor Information
>5g2d Chain A (length=267) Species: 1454201 (Nonlabens marinus S1-08) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSMKNIESLFDYSAGQFEFIDHLLTMGVGVHFAALIFFLVVSQFVAPKYR
IATALSCIVMVSAGLILNSQAVMWTDAYAYVDGSYQLQDLTFSNGYRYVN
WMANIPCLLLQLLIVLNLKGKELFSTATWLILAAWGMIITGYVGQLYEVD
DIAQLMIWGAVSTAFFVVMNWIVGTKIFKNRATMLGGTDSTITKVFWLMM
FAWTLYPIAYLVPAFMNNADGVVLRQLLFTIADISSKVIYGLMITYIAIQ
QSAAAGYVPAQQALGRI
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 chain5g2d Chain A Residue 1274 [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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PDB5g2d Crystal Structure and Functional Characterization of a Light-Driven Chloride Pump Having an Ntq Motif.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W99 I103 L106 M135 S160 F164 W201 Y204 Y208 S234 K235
Binding residue
(residue number reindexed from 1)		W101 I105 L108 M137 S162 F166 W203 Y206 Y210 S236 K237
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:5g2d, PDBe:5g2d, PDBj:5g2d
PDBsum5g2d
PubMed27554809
UniProtW8VZW3

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