Structure of PDB 1srg Chain A Binding Site BS01

Receptor Information
>1srg Chain A (length=116) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAP
ASGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTTEA
NAWKSTLVGHDTFTKV
Ligand information
Ligand IDMHB
InChIInChI=1S/C14H12N2O3/c1-9-8-10(6-7-13(9)17)15-16-12-5-3-2-4-11(12)14(18)19/h2-8,17H,1H3,(H,18,19)/b16-15+
InChIKeySBSCJWJICRGLIV-FOCLMDBBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc(ccc1O)N=Nc2ccccc2C(=O)O
CACTVS 3.341Cc1cc(ccc1O)N=Nc2ccccc2C(O)=O
ACDLabs 10.04O=C(O)c2ccccc2/N=N/c1ccc(O)c(c1)C
OpenEye OEToolkits 1.5.0Cc1cc(ccc1O)/N=N/c2ccccc2C(=O)O
FormulaC14 H12 N2 O3
Name2-((3'-METHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
ChEMBL
DrugBankDB08181
ZINCZINC000006522023
PDB chain1srg 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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PDB1srg Structural Origins of High-Affinity Biotin Binding to Streptavidin
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S27 Y43 S45 V47 N49 A50 W79 W108 D128
Binding residue
(residue number reindexed from 1)		S13 Y29 S31 V33 N35 A36 W62 W91 D111
Annotation score1
Binding affinityMOAD: Ka=200000M^-1
PDBbind-CN: -logKd/Ki=5.30,Kd=5uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:1srg, PDBe:1srg, PDBj:1srg
PDBsum1srg
PubMed
UniProtP22629|SAV_STRAV Streptavidin

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