Structure of PDB 1swg Chain D Binding Site BS01

Receptor Information
>1swg Chain D (length=113) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGA
EARINTQWLLTSGTTEANAWKSTLVGHDTFTKVGITGTWYNQLGSTFIVT
AGADGALTGTYES
Ligand information
Ligand IDBTN
InChIInChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
InChIKeyYBJHBAHKTGYVGT-ZKWXMUAHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
CACTVS 3.385OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
ACDLabs 12.01O=C1NC2C(SCC2N1)CCCCC(=O)O
OpenEye OEToolkits 1.7.6C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
OpenEye OEToolkits 1.7.6C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
FormulaC10 H16 N2 O3 S
NameBIOTIN
ChEMBLCHEMBL857
DrugBankDB00121
ZINCZINC000035024346
PDB chain1swg Chain D Residue 900 [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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PDB1swg Thermodynamic and structural consequences of flexible loop deletion by circular permutation in the streptavidin-biotin system.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W79 S88 T90 W92 W108 D128 N23 L25 S27 Y43 S45
Binding residue
(residue number reindexed from 1)		W29 S38 T40 W42 W58 D78 N91 L93 S95 Y111 S113
Annotation score4
Binding affinityMOAD: Kd=43.9nM
PDBbind-CN: -logKd/Ki=7.36,Kd=43.9nM
BindingDB: Kd=1.000000nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:1swg, PDBe:1swg, PDBj:1swg
PDBsum1swg
PubMed9568892
UniProtP22629|SAV_STRAV Streptavidin

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