Structure of PDB 2bvm Chain A Binding Site BS01

Receptor Information
>2bvm Chain A (length=541) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSLVNRKQLEKMANVRFRTQEDEYVAILDALEEYHNMSENTVVEKYLKLK
DINSLTDICIDTYKKSGRNKALKKFKEYLVTEVLELKNNNLTPVEKNLHF
VWIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTVVESAI
NDTLESFRENLNDPRFDYNKFFRKRMEIIYDKQKNFINYYKAQREENPEL
IIDDIVKTYLSNEYSKEIDELNTYIEESLNKITQNSGNDVRNFGEFKNGE
SFNLYEQELVERWNLAAASDILRISALKEIGGMYLDVDMLPGIQPDLFES
IEKPSSVTVDFWEMTKLEAIMKYKEYIPEYTSEHFDMLDEEVQSSFESVL
ASKSDKSEIFSSLGDMEASPLEVKIAFNSKGIINQGLISVKDSYCSNLIV
KQIENRYKILNNSLNPAISEDNDFNTTTNTFIDSIMAEANADNGRFMMEL
GKYLRVGFFPDVKTTINLSGPEAYAAAYQDLLMFKEGSMNIHLIEADLRN
FEISKTNISQSTEQEMASLWSFDDARAKAQFEEYKRNYFEG
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain2bvm Chain A Residue 1542 [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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PDB2bvm Structural Basis for the Function of Clostridium Difficile Toxin B.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		D288 E515 E540 G541
Binding residue
(residue number reindexed from 1)		D288 E515 E540 G541
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
3.4.22.-
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:2bvm, PDBe:2bvm, PDBj:2bvm
PDBsum2bvm
PubMed16054646
UniProtP18177|TCDB_CLODI Toxin B (Gene Name=tcdB)

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