Structure of PDB 2bvl Chain A Binding Site BS03

Receptor Information

>2bvl Chain A (length=543) Species: 1496 (Clostridioides difficile)

MSLVNRKQLEKMANVRFRTQEDEYVAILDALEEYHNMSENTVVEKYLKLK
DINSLTDICIDTYKKSGRNKALKKFKEYLVTEVLELKNNNLTPVEKNLHF
VWIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTVVESAI
NDTLESFRENLNDPRFDYNKFFRKRMEIIYDKQKNFINYYKAQREENPEL
IIDDIVKTYLSNEYSKEIDELNTYIEESLNKITQNSGNDVRNFGEFKNGE
SFNLYEQELVERWNLAAASDILRISALKEIGGMYLDVDMLPGIQPDLFES
IEKPSSVTVDFWEMTKLEAIMKYKEYIPEYTSEHFDMLDEEVQSSFESVL
ASKSDKSEIFSSLGDMEASPLEVKIAFNSKGIINQGLISVKDSYCSNLIV
KQIENRYKILNNSLNPAISEDNDFNTTTNTFIDSIMAEANADNGRFMMEL
GKYLRVGFFPDVKTTINLSGPEAYAAAYQDLLMFKEGSMNIHLIEADLRN
FEISKTNISQSTEQEMASLWSFDDARAKAQFEEYKRNYFEGAL

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: 2bvl Chain A Residue 1546

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2bvl Structural Basis for the Function of Clostridium Difficile Toxin B.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D270 R273 D286 I383 N384 W520
• Binding residue (residue number reindexed from 1): D270 R273 D286 I383 N384 W520
• 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:2bvl, PDBe:2bvl, PDBj:2bvl
• PDBsum: 2bvl
• PubMed: 16054646
• UniProt: P18177|TCDB_CLODI Toxin B (Gene Name=tcdB)