Structure of PDB 8fxu Chain A Binding Site BS03

Receptor Information
>8fxu Chain A (length=310) Species: 1517 (Thermoanaerobacterium thermosaccharolyticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKQLNIGVAIYKFDDTCMTGVRNAMTAEAQGKAKLNMVDSQNSQPTQNDQ
VDLFITKKMNALAINPVDRTAAGTIIDKAKQANIPVVFFNREPLPEDMKK
WDKVYYVGAKAEQSGILQGQIMADYWKAHPEADKNHDGVMQYVMLMGQPG
HQDAILRTQYSIQTVKDAGIKVQELAKDYANWDRVTAHDKMAAWLSSFGD
KIEAVFANNDDMALGAIEALKSAGYFTGKYIPVVGVDATAPGIQAIKDGT
LLGTVLNDAKNQAKATFNIAYELAQGITPTKDNIGYDITDGKYVWIPYKK
ITKDNISDAE
Ligand information
Ligand IDYDQ
InChIInChI=1S/C14H14BrNO/c1-16(2)13-6-5-10-7-12(14(17)9-15)4-3-11(10)8-13/h3-8H,9H2,1-2H3
InChIKeyZEIHZWQYRTVVMA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN(C)c1ccc2cc(ccc2c1)C(=O)CBr
ACDLabs 12.01BrCC(=O)c1ccc2cc(ccc2c1)N(C)C
FormulaC14 H14 Br N O
Name2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethan-1-one;
BADAN
ChEMBL
DrugBank
ZINCZINC000002565842
PDB chain8fxu Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8fxu Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		C17 D238 A239 T240 N258
Binding residue
(residue number reindexed from 1)		C17 D237 A238 T239 N257
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:8fxu, PDBe:8fxu, PDBj:8fxu
PDBsum8fxu
PubMed37598249
UniProtD9TSJ1

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