Structure of PDB 7v1x Chain B Binding Site BS04

Receptor Information

>7v1x Chain B (length=447) Species: 1689 (Bifidobacterium dentium)

EITGLFKDLTKVKHARNGRLASWDQRGKNQDYWEIPAGESITLGEIEGPG
CITHMWMTSSCRKVVAPSILDPELNASAAPVMEIHPALGVIWDAYDPFYY
RKALIKITWDDQDTPSVLVPFGDFFCIGNSYPGNFSSLPFNVSLKPEEAG
KFGAPCSVSCYFPMPFNKKAKIEIVNDNELPFILYFNIDYEMYGEPLPED
TAYFHAAWHRENPCNGWGPELQVNSPEVNNVTNFKGENNYTVLDVEGTGH
YVGCNLTVKHFQGSWWGEGNDMFFIDGEEYPSLNGTGTEDYFNHAWGMQR
NAYPFFGTIVHEGDTDGFQVSYRWHITDPVRFEKHLKVTIEHGHANQLSD
DWSSTAYWYQILPTASRITIAPVEDRLPVVPQLPERKLVLPQLTEEQQAA
RDTYQKRWKDYEPRRDTQFRIKEDKARRESKLNTEFAKKLRDAFDAE

Ligand information

• Ligand ID: FRU
• InChI: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
• InChIKey: RFSUNEUAIZKAJO-ARQDHWQXSA-N
• SMILES:
  ACDLabs 10.04: OC1C(O)C(OC1(O)CO)CO
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
  CACTVS 3.341: OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)(CO)O)O)O)O
  CACTVS 3.341: OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
• Formula: C6 H12 O6
• Name: beta-D-fructofuranose;
  beta-D-fructose;
  D-fructose;
  fructose
• ChEMBL: CHEMBL604608
• ZINC: ZINC000001529270
• PDB chain: 7v1x Chain D Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7v1x Identification of difructose dianhydride I synthase/hydrolase from an oral bacterium establishes a novel glycoside hydrolase family.
• Resolution: 1.76 Å
• Binding residue (original residue number in PDB): T60 Y187
• Binding residue (residue number reindexed from 1): T58 Y185
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:7v1x, PDBe:7v1x, PDBj:7v1x
• PDBsum: 7v1x
• PubMed: 34688653
• UniProt: A0A6L9SN29