Structure of PDB 1swp Chain C Binding Site BS01

Receptor Information
>1swp 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
TDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTT
EANAFKSTLVGHDTFTK
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 chain1swp Chain C Residue 500 [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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PDB1swp Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N23 S27 Y43 S45 V47 N49 W79 S88 W108
Binding residue
(residue number reindexed from 1)		N8 S12 Y28 S30 V32 N34 W64 S73 W93
Annotation score1
Binding affinityMOAD: Ka=100000000M^-1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:1swp, PDBe:1swp, PDBj:1swp
PDBsum1swp
PubMed9636711
UniProtP22629|SAV_STRAV Streptavidin

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