Structure of PDB 6x6x Chain B Binding Site BS01

Receptor Information
>6x6x Chain B (length=416) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYKAPIERPEDFLKDKEKAKEWERKEAERIEQKLERSEKEALESYKKDSV
EISKYSQTRNYFYDYQIEANSREKEYKELRNAISKNKIDKPMYVYYFESP
EKFAFNKVIRTENQNEISLEKFNEFKETIQNKLFKQDGFKDISLYEPGKG
DEKPTPLLMHLKLPRNTGMLPYTNTNNVSTLIEQGYSIKIDKIVRIVIDG
KHYIKAEASVVSSLDFKDDVSKGDSWGKANYNDWSNKLTPNELADVNDYM
RGGYTAINNYLISNGPVNNPNPELDSKITNIENALKREPIPTNLTVYRRS
GPQEFGLTLTSPEYDFNKLENIDAFKSKWEGQALSYPNFISTSIGSVNMS
AFAKRKIVLRITIPKGSPGAYLSAIPGYAGEYEVLLNHGSKFKINKIDSY
KDGTITKLIVDATLIP
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 chain6x6x Chain B Residue 501 [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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PDB6x6x Crystal structure of enzymatic binary toxin component from Clostridium difficile in complex with
Resolution1.71 Å
Binding residue
(original residue number in PDB)		D52 E55
Binding residue
(residue number reindexed from 1)		D48 E51
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016740 transferase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6x6x, PDBe:6x6x, PDBj:6x6x
PDBsum6x6x
PubMed
UniProtQ9KH42

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