Structure of PDB 5b5f Chain A Binding Site BS01

Receptor Information
>5b5f Chain A (length=120) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPA
TDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTT
EANAWKSTLVGHDTFTKVKP
Ligand information
Ligand ID6F3
InChIInChI=1S/C14H12N2O4S/c1-15-21(18,19)10-4-2-3-9(7-10)13-8-11-12(20-13)5-6-16-14(11)17/h2-8,15H,1H3,(H,16,17)
InChIKeyQWCULBJLWKNECO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN[S](=O)(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2
OpenEye OEToolkits 2.0.4CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O
FormulaC14 H12 N2 O4 S
NameN-methyl-3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzenesulfonamide
ChEMBL
DrugBank
ZINCZINC000584904827
PDB chain5b5f Chain A 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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PDB5b5f Improving the Solubility of Artificial Ligands of Streptavidin to Enable More Practical Reversible Switching of Protein Localization in Cells
Resolution1.2 Å
Binding residue
(original residue number in PDB)		S27 Y43 S45 G48 N49 A50 W79 S88 W108 L110 D128
Binding residue
(residue number reindexed from 1)		S12 Y28 S30 G33 N34 A35 W64 S73 W93 L95 D113
Annotation score1
Binding affinityMOAD: Kd=5.6uM
PDBbind-CN: -logKd/Ki=5.25,Kd=5.6uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:5b5f, PDBe:5b5f, PDBj:5b5f
PDBsum5b5f
PubMed27905160
UniProtP22629|SAV_STRAV Streptavidin

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