Structure of PDB 6hdt Chain B Binding Site BS01

Receptor Information
>6hdt Chain B (length=124) Species: 209897 (Afifella pfennigii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSPRQSAEAFGVPAVSSSWVNQDGSTMTLVFGAGNSVSGFYVNNAPGFGC
QGTPYPLVGLTWGNFIGFTVAWDNATANCNSVTSWTGFAEAAGSDVTIVT
DWNLAYQGSSSGEIQQGSDTFTLV
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 chain6hdt Chain B Residue 201 [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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PDB6hdt Crystal structure of afifavidin reveals common features of molecular assemblage in the bacterial dimeric avidins.
Resolution1.54 Å
Binding residue
(original residue number in PDB)		N23 S27 Y43 N45 F50 G51 W74 C81 S83 T85 W87 W104 D121
Binding residue
(residue number reindexed from 1)		N21 S25 Y41 N43 F48 G49 W72 C79 S81 T83 W85 W102 D119
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6hdt, PDBe:6hdt, PDBj:6hdt
PDBsum6hdt
PubMed30369031
UniProtA0A493R6X0|AFAVI_AFIPF Afifavidin

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