Structure of PDB 1sri Chain A Binding Site BS01

Receptor Information
>1sri Chain A (length=118) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDS
APASGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTT
EANAWKSTLVGHDTFTKV
Ligand information
Ligand IDDMB
InChIInChI=1S/C15H14N2O3/c1-9-7-11(8-10(2)14(9)18)16-17-13-6-4-3-5-12(13)15(19)20/h3-8,18H,1-2H3,(H,19,20)/b17-16+
InChIKeyZMDQWZFZPGJFPM-WUKNDPDISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc(cc(c1O)C)N=Nc2ccccc2C(=O)O
ACDLabs 10.04O=C(O)c2ccccc2/N=N/c1cc(c(O)c(c1)C)C
CACTVS 3.341Cc1cc(cc(C)c1O)N=Nc2ccccc2C(O)=O
FormulaC15 H14 N2 O3
Name2-((3',5'-DIMETHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
ChEMBL
DrugBankDB07667
ZINCZINC000005067020
PDB chain1sri Chain B Residue 300 [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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PDB1sri Structural Origins of High-Affinity Biotin Binding to Streptavidin
Resolution1.65 Å
Binding residue
(original residue number in PDB)		S27 Y43 S45 N49 A50 W79 A86 S88 W108 L110 D128
Binding residue
(residue number reindexed from 1)		S15 Y31 S33 N37 A38 W64 A71 S73 W93 L95 D113
Annotation score1
Binding affinityMOAD: Ka=1200000M^-1
PDBbind-CN: -logKd/Ki=6.08,Kd=0.83uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:1sri, PDBe:1sri, PDBj:1sri
PDBsum1sri
PubMed
UniProtP22629|SAV_STRAV Streptavidin

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