Structure of PDB 5uqk Chain A Binding Site BS02

Receptor Information
>5uqk Chain A (length=537) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLISKEELIKLAYSIRPRENEYKTILTNLDEYNKLTTNNNENKYLQLKKL
NESIDVFMNKYKTSSRNRALSNLKKDILKEVILIKNSNTSPVEKNLHFVW
IGGEVSDIALEYIKQWADINAEYNIKLWYDSEAFLVNTLKKAIVESSTTE
ALQLLEEEIQNPQFDNMKFYKKRMEFIYDRQKRFINYYKSQINKPTVPTI
DDIIKSHLVSEYNRDETVLESYRTNSLRKINSNHGIDIRANSLFTEQELL
NIYSQELLNRGNLAAASDIVRLLALKNFGGVYLDVDMLPGIHSDLFKTIS
RPSSIGLDRWEMIKLEAIMKYKKYINNYTSENFDKLDQQLKDNFKLIIES
KSEKSEIFSKLENLNVSDLEIKIAFALGSVINQALISKQGSYLTNLVIEQ
VKNRYQFLNQHLNPAIESDNNFTDTTKIFHDSLFNSATAENSMFLTKIAP
YLQVGFMPEARSTISLSGPGAYASAYYDFINLQENTIEKTLKASDLIEFK
FPENNLSQLTEQEINSLWSFDQASAKYQFEKYVRDYT
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 chain5uqk Chain A Residue 602 [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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PDB5uqk Clostridium difficile toxin glucosyltransferase domains in complex with a non-hydrolyzable UDP-glucose analogue.
Resolution1.851 Å
Binding residue
(original residue number in PDB)		D287 E514 S517
Binding residue
(residue number reindexed from 1)		D286 E513 S516
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:5uqk, PDBe:5uqk, PDBj:5uqk
PDBsum5uqk
PubMed28433497
UniProtP16154|TCDA_CLODI Toxin A (Gene Name=tcdA)

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