Structure of PDB 8wem Chain A Binding Site BS01

Receptor Information
>8wem Chain A (length=353) Species: 817 (Bacteroides fragilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVTASIDLQSVSYTDLATQLNDVSDFGKMIILKDNGFNRQVHVSMDKRTK
IQLDNENVRLFNGRDKDSTSFILGDEFAVLRFYRNGESISYIAYKEAQMM
NEIAEFYAAPFKKTRAINEKEAFECIYDSRTRSAGKDIVSVKINIDKAKK
ILNLPECDYINDYIKTPQVPSEPKTVYVICLRENGSTIYPNEVSAQMQDA
ANSVYAVHGLKRYVNFHFVLYTTEYSCPSGDAKEGLEGFTASLKSNPKAE
GYDDQIYFLIRWGTWDNKILGMSWFNSYNVNTASDFEASGMSTTQLMYPG
VMAHELGHILGAEHTDNSKDLMYATFTGYLSHLSEKNMDIIAKNLGWEAA
DGD
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 chain8wem Chain A 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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PDB8wem Bacteroides fragilis toxin 1
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D194 H348 H352 H358
Binding residue
(residue number reindexed from 1)		D162 H304 H308 H314
Annotation score4
External links
PDB RCSB:8wem, PDBe:8wem, PDBj:8wem
PDBsum8wem
PubMed
UniProtP54355|ENTM_BACFG Fragilysin (Gene Name=btfP)

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