Structure of PDB 4y59 Chain C Binding Site BS01

Receptor Information
>4y59 Chain C (length=121) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAP
ATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGT
TEANAWKSTLVGHDTFTKVKP
Ligand information
Ligand IDT21
InChIInChI=1S/C14H8F3NO2/c15-14(16,17)9-3-1-2-8(6-9)12-7-10-11(20-12)4-5-18-13(10)19/h1-7H,(H,18,19)
InChIKeyICVXPLDIRPNIOG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O
ACDLabs 12.01C3=Cc2c(cc(c1cccc(C(F)(F)F)c1)o2)C(N3)=O
CACTVS 3.385FC(F)(F)c1cccc(c1)c2oc3C=CNC(=O)c3c2
FormulaC14 H8 F3 N O2
Name2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one
ChEMBL
DrugBank
ZINCZINC000002531965
PDB chain4y59 Chain C Residue 200 [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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PDB4y59 Artificial Ligands of Streptavidin (ALiS): Discovery, Characterization, and Application for Reversible Control of Intracellular Protein Transport
Resolution1.22 Å
Binding residue
(original residue number in PDB)		S27 Y43 W79 A86 W92 W108 D128
Binding residue
(residue number reindexed from 1)		S13 Y29 W65 A72 W78 W94 D114
Annotation score1
Binding affinityMOAD: Kd=5.8uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:4y59, PDBe:4y59, PDBj:4y59
PDBsum4y59
PubMed26261872
UniProtP22629|SAV_STRAV Streptavidin

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