Structure of PDB 1srf Chain B Binding Site BS01

Receptor Information
>1srf Chain B (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 IDMTB
InChIInChI=1S/C17H18N2O3/c1-17(2,3)13-10-11(8-9-15(13)20)18-19-14-7-5-4-6-12(14)16(21)22/h4-10,20H,1-3H3,(H,21,22)/b19-18+
InChIKeyRLAQYNIYEMUFPA-VHEBQXMUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(C)c1cc(ccc1O)N=Nc2ccccc2C(=O)O
OpenEye OEToolkits 1.5.0CC(C)(C)c1cc(ccc1O)/N=N/c2ccccc2C(=O)O
CACTVS 3.341CC(C)(C)c1cc(ccc1O)N=Nc2ccccc2C(O)=O
ACDLabs 10.04O=C(O)c2ccccc2/N=N/c1ccc(O)c(c1)C(C)(C)C
FormulaC17 H18 N2 O3
Name2-((3'-TERTBUTYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID
ChEMBL
DrugBankDB08216
ZINCZINC000038187964
PDB chain1srf 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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PDB1srf Structural Origins of High-Affinity Biotin Binding to Streptavidin
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N23 S27 Y43 S45 V47 G48 N49 A50 Y54 W79 W92 W108 D128
Binding residue
(residue number reindexed from 1)		N9 S13 Y29 S31 V33 G34 N35 A36 Y40 W62 W75 W91 D111
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:1srf, PDBe:1srf, PDBj:1srf
PDBsum1srf
PubMed
UniProtP22629|SAV_STRAV Streptavidin

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