Structure of PDB 4dmw Chain A Binding Site BS01

Receptor Information
>4dmw Chain A (length=535) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLISKEELIKLAYSIRPRENEYKTILTNLDEYNKLTTNNNENKYLQLKKL
NESIDVFMNKYKTSSRNRALSNLKKDILKEVILIKNSNTSPVEKNLHFVW
IGGEVSDIALEYIKQWADINAEYNIKLWYDSEAFLVNTLKKAIVESSTTE
ALQLLEEEIQNPQFDNMKFYKKRMEFIYDRQKRFINYYKSQINKVPTIDD
IIKSHLVSEYNRDETVLESYRTNSLRKINSNHGIDIRANSLFTEQELLNI
YSQELLNRGNLAAASDIVRLLALKNFGGVYLDVDMLPGIHSDLFKTISRP
SSIGLDRWEMIKLEAIMKYKKYINNYTSENFDKLDQQLKDNFKLIIESKS
EKSEIFSKLENLNVSDLEIKIAFALGSVINQALISKQGSYLTNLVIEQVK
NRYQFLNQHLNPAIESDNNFTDTTKIFHDSLFNSATAENSMFLTKIAPYL
QVGFMPEARSTISLSGPGAYASAYYDFINLQENTIEKTLKASDLIEFKFP
ENNLSQLTEQEINSLWSFDQASAKYQFEKYVRDYT
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 chain4dmw Chain A Residue 601 [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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PDB4dmw The structure of Clostridium difficile toxin A glucosyltransferase domain bound to Mn2+ and UDP provides insights into glucosyltransferase activity and product release.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D287 E514
Binding residue
(residue number reindexed from 1)		D284 E511
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:4dmw, PDBe:4dmw, PDBj:4dmw
PDBsum4dmw
PubMed22747490
UniProtP16154|TCDA_CLODI Toxin A (Gene Name=tcdA)

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