Structure of PDB 1swk Chain C Binding Site BS01

Receptor Information
>1swk Chain C (length=117) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPA
TDGSGTALGWTVAFKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTT
EANAWKSTLVGHDTFTK
Ligand information
Ligand IDBTQ
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-OOZYFLPDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
OpenEye OEToolkits 1.5.0C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2
ACDLabs 10.04O=C1NC2C(SCC2N1)CCCCC(=O)O
OpenEye OEToolkits 1.5.0C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
CACTVS 3.341OC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]12
FormulaC10 H16 N2 O3 S
NameEPI-BIOTIN;
5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID
ChEMBL
DrugBankDB04650
ZINCZINC000001532548
PDB chain1swk Chain C Residue 5300 [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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PDB1swk Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S27 Y43 S45 V47 G48 N49 F79 S88 T90 W92 W108
Binding residue
(residue number reindexed from 1)		S12 Y28 S30 V32 G33 N34 F64 S73 T75 W77 W93
Annotation score1
Binding affinityMOAD: Ka=100000000000000M^-1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:1swk, PDBe:1swk, PDBj:1swk
PDBsum1swk
PubMed9636711
UniProtP22629|SAV_STRAV Streptavidin

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