Structure of PDB 6vjk Chain I Binding Site BS01

Receptor Information
>6vjk Chain I (length=121) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGITGTWYNQLGSTFIVTAGADGALTGTYESAVGCAESRYVLTGRYDSAP
ATDGSGTALGWTVAWKNNYRNCHSATTWSGQYVGGAEARINTQWLLTSGT
TEANAWKSTLVGHDTFTKVKP
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 chain6vjk Chain I Residue 401 [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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PDB6vjk Engineering a disulfide-gated switch in streptavidin enables reversible binding without sacrificing binding affinity.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		N23 S27 Y43 S45 V47 G48 C49 W79 S88 T90 W92 W108 D128
Binding residue
(residue number reindexed from 1)		N9 S13 Y29 S31 V33 G34 C35 W65 S74 T76 W78 W94 D114
Annotation score4
Binding affinityMOAD: Kd=0.000000064M
BindingDB: Kd=1.000000nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6vjk, PDBe:6vjk, PDBj:6vjk
PDBsum6vjk
PubMed32719366
UniProtP22629|SAV_STRAV Streptavidin

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