Structure of PDB 5b5g Chain D Binding Site BS02

Receptor Information
>5b5g Chain D (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 ID6FX
InChIInChI=1S/C14H10N2O4/c1-19-14(18)9-4-8(6-15-7-9)12-5-10-11(20-12)2-3-16-13(10)17/h2-7H,1H3,(H,16,17)
InChIKeyCKTWBGKZILYBCF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(=O)c1cncc(c1)c2oc3C=CNC(=O)c3c2
OpenEye OEToolkits 2.0.4COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O
FormulaC14 H10 N2 O4
Namemethyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate;
methyl 5-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)nicotinate
ChEMBL
DrugBank
ZINCZINC000584904684
PDB chain5b5g Chain D Residue 202 [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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PDB5b5g Improving the Solubility of Artificial Ligands of Streptavidin to Enable More Practical Reversible Switching of Protein Localization in Cells
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Y43 Y54 W79 R84 T90 W92 W108 D128
Binding residue
(residue number reindexed from 1)		Y28 Y39 W64 R69 T75 W77 W93 D113
Annotation score1
Binding affinityMOAD: Kd=5.6uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:5b5g, PDBe:5b5g, PDBj:5b5g
PDBsum5b5g
PubMed27905160
UniProtP22629|SAV_STRAV Streptavidin

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