Structure of PDB 7s0z Chain A Binding Site BS04

Receptor Information

>7s0z Chain A (length=541) Species: 1496 (Clostridioides difficile)

MSLVNRKQLEKMANVRFRVQEDEYVAILDALEEYHNMSENTVVEKYLKLK
DINSLTDTYIDTYKKSGRNKALKKFKEYLVIEILELKNSNLTPVEKNLHF
IWIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTIIESAS
NDTLESFRENLNDPEFNHTAFFRKRMQIIYDKQQNFINYYKAQKEENPDL
IIDDIVKTYLSNEYSKDIDELNAYIEESLNKVTENSGNDVRNFEEFKTGE
VFNLYEQELVERWNLAGASDILRVAILKNIGGVYLDVDMLPGIHPDLFKD
INKPDSVKTAVDWEEMQLEAIMKHKEYIPEYTSKHFDTLDEEVQSSFESV
LASKSDKSEIFLPLGDIEVSPLEVKIAFAKGSIINQALISAKDSYCSDLL
IKQIQNRYKILNDTLGPIISQGNDFNTTMNNFGESLGAIANEENISFIAK
IGSYLRVGFYPEANTTITLSGPTIYAGAYKDLLTFKEMSIDTSILSSELR
NFEFPKVNISQATEQEKNSLWQFNEERAKIQFEEYKKNYFE

Ligand information

• Ligand ID: GLC
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 7s0z Chain A Residue 623

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7s0z Structural basis for selective modification of Rho and Ras GTPases by Clostridioides difficile toxin B.
• Resolution: 2.34 Å
• Binding residue (original residue number in PDB): A266 D270 D286 N385 T466 G471 P472 W521
• Binding residue (residue number reindexed from 1): A266 D270 D286 N385 T466 G471 P472 W521
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.1.-
  3.4.22.-

Gene Ontology

Molecular Function

• GO:0016757 glycosyltransferase activity

External links

• PDB: RCSB:7s0z, PDBe:7s0z, PDBj:7s0z
• PDBsum: 7s0z
• PubMed: 34678063
• UniProt: Q9EXR0|TCDB2_CLODI Toxin B (Gene Name=tcdB)