Structure of PDB 8weo Chain B Binding Site BS01

Receptor Information
>8weo Chain B (length=186) Species: 817 (Bacteroides fragilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVPSEPKTVYVICLRENGSTIYPNEVSAQMQDAANSVYAVHGLKRYVNFH
FVLYTTEYSCPSGDAKEGLEGFTASLKSNPKAEGYDDQIYFLIRWGTWDN
KILGMSWFNSYNVNTASDFEASGMSTTQLMYPGVMAHELGHILGAEHTDN
SKDLMYATFTGYLSHLSEKNMDIIAKNLGWEAADGD
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8weo Chain B 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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PDB8weo Bacteroides fragilis toxin in complex with neutralization nanobody
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H348 H352 H358
Binding residue
(residue number reindexed from 1)		H137 H141 H147
Annotation score4
External links
PDB RCSB:8weo, PDBe:8weo, PDBj:8weo
PDBsum8weo
PubMed
UniProtP54355|ENTM_BACFG Fragilysin (Gene Name=btfP)

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