Structure of PDB 7s0z Chain A Binding Site BS02

Receptor Information
>7s0z 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]
MSLVNRKQLEKMANVRFRVQEDEYVAILDALEEYHNMSENTVVEKYLKLK
DINSLTDTYIDTYKKSGRNKALKKFKEYLVIEILELKNSNLTPVEKNLHF
IWIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTIIESAS
NDTLESFRENLNDPEFNHTAFFRKRMQIIYDKQQNFINYYKAQKEENPDL
IIDDIVKTYLSNEYSKDIDELNAYIEESLNKVTENSGNDVRNFEEFKTGE
VFNLYEQELVERWNLAGASDILRVAILKNIGGVYLDVDMLPGIHPDLFKD
INKPDSVKTAVDWEEMQLEAIMKHKEYIPEYTSKHFDTLDEEVQSSFESV
LASKSDKSEIFLPLGDIEVSPLEVKIAFAKGSIINQALISAKDSYCSDLL
IKQIQNRYKILNDTLGPIISQGNDFNTTMNNFGESLGAIANEENISFIAK
IGSYLRVGFYPEANTTITLSGPTIYAGAYKDLLTFKEMSIDTSILSSELR
NFEFPKVNISQATEQEKNSLWQFNEERAKIQFEEYKKNYFE
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 chain7s0z Chain A Residue 618 [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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PDB7s0z Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Resolution2.34 Å
Binding residue
(original residue number in PDB)		D288 E516
Binding residue
(residue number reindexed from 1)		D288 E516
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:7s0z, PDBe:7s0z, PDBj:7s0z
PDBsum7s0z
PubMed34678063
UniProtQ9EXR0|TCDB2_CLODI Toxin B (Gene Name=tcdB)

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