Structure of PDB 7s0y Chain A Binding Site BS01

Receptor Information
>7s0y Chain A (length=542) Species: 1496 (Clostridioides difficile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGMSLVNRKQLEKMANVRFRTQEDEYVAILDALEEYHNMSENTVVEKYLK
LKDINSLTDIYIDTYKKSGRNKALKKFKEYLVTEVLELKNNNLTPVEKNL
HFVWIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTVVES
AINDTLESFRENLNDPRFDYNKFFRKRMEIIYDKQKNFINYYKAQREENP
ELIIDDIVKTYLSNEYSKEIDELNTYIEESLNKITQNSGNDVRNFEEFKN
GESFNLYEQELVERWNLAAASDILRISALKEIGGMYLDVDMLPGIQPDLF
ESIEKPSSVTVDFWEMTKLEAIMKYKEYIPEYTSEHFDMLDEEVQSSFES
VLASKSDKSEIFSSLGDMEASPLEVKIAFNSKGIINQGLISVKDSYSSNL
IVKQIENRYKILNNSLNPAISEDNDFNTTTNTFIDSIMAEANADNGRFMM
ELGKYLRVGFFPDVKTTINLSGPEAYAAAYQDLLMFKEGSMNIHLIEADL
RNFEISKTNISQSTEQEMASLWSFDDARAKAQFEEYKRNYFE
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 chain7s0y 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7s0y Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
Resolution2.79 Å
Binding residue
(original residue number in PDB)		D288 E515
Binding residue
(residue number reindexed from 1)		D290 E517
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:7s0y, PDBe:7s0y, PDBj:7s0y
PDBsum7s0y
PubMed34678063
UniProtP18177|TCDB_CLODI Toxin B (Gene Name=tcdB)

[Back to BioLiP]