Structure of PDB 7oso Chain A Binding Site BS04

Receptor Information

>7oso Chain A (length=412) Species: 465817 (Erwinia tasmaniensis Et1/99)

FNYKPTPWTRADALKVHSDDPTTTQPLVDVAFPVMSEEVFIWDTMPLRDF
DGDIVSVNGWCVIFTLTADRNTNNPDFQDENGNYDIKRDWEDRHGRARIC
YWYSRTGKDWIFGGRVMAEGVSPTTREWAGTPILLNDEGDIDLYYTCVTP
GATIAKVRGKIVTSDEGVSLEGFQHVKSLFSADGKIYQTEEQNAYWNFRD
PSPFIDKNDGKLYMLFEGNVAGSRGTHEITQEDMGSVPPGYENVGGARYQ
VGCIGLAVAKDLSGDEWEILPPLITAVGVNDQTERPHFVFQEGKYYLFTI
SHKYTFADNLTGPDGVYGFVSNQLTGPYTPMNSSGLVLGNPSSQPFQTYS
HYVMPNGLVTSFIDSVPWEGEKFRIGGTEAPTVKILLKGDRSFVVDSFDY
GYIPAMKDIILK

Ligand information

• Ligand ID: 0V1
• InChI: InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m0/s1
• InChIKey: ARXKVVRQIIOZGF-BYPYZUCNSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C(CO)[C@@H](CO)O
  CACTVS 3.385: OCC[C@H](O)CO
  CACTVS 3.385: OCC[CH](O)CO
  OpenEye OEToolkits 2.0.7: C(CO)C(CO)O
• Formula: C4 H10 O3
• Name: (2~{S})-butane-1,2,4-triol;
  (S)-1,2,4-butanentriol
• ZINC: ZINC000003860246
• PDB chain: 7oso Chain A Residue 504

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7oso Erwinia tasmaniensis levansucrase shows enantiomer selection for (S)-1,2,4-butanetriol.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): W45 D46 L69 H97 W131 E287
• Binding residue (residue number reindexed from 1): W42 D43 L66 H94 W128 E284
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.1.10: levansucrase.

Gene Ontology

Molecular Function

• GO:0016757 glycosyltransferase activity
• GO:0046872 metal ion binding
• GO:0050053 levansucrase activity

Biological Process

• GO:0009758 carbohydrate utilization

External links

• PDB: RCSB:7oso, PDBe:7oso, PDBj:7oso
• PDBsum: 7oso
• PubMed: 35924596
• UniProt: B2VCC3