Structure of PDB 7v1w Chain B Binding Site BS02

Receptor Information

>7v1w Chain B (length=447) Species: 1689 (Bifidobacterium dentium)

EITGLFKDLTKVKHARNGRLASWDQRGKNQDYWEIPAGESITLGEIEGPG
CITHMWMTSSCRKVVAPSILDPELNASAAPVMEIHPALGVIWDAYDPFYY
RKALIKITWDDQDTPSVLVPFGDFFCIGNSYPGNFSSLPFNVSLKPEEAG
KFGAPCSVSCYFPMPFNKKAKIEIVNDNELPFILYFNIDYEMYGEPLPED
TAYFHAAWHRENPCNGWGPELQVNSPEVNNVTNFKGENNYTVLDVEGTGH
YVGCNLTVKHFQGSWWGEGNDMFFIDGEEYPSLNGTGTEDYFNHAWGMQR
NAYPFFGTIVHEGDTDGFQVSYRWHITDPVRFEKHLKVTIEHGHANQLSD
DWSSTAYWYQILPTASRITIAPVEDRLPVVPQLPERKLVLPQLTEEQQAA
RDTYQKRWKDYEPRRDTQFRIKEDKARRESKLNTEFAKKLRDAFDAE

Ligand information

• Ligand ID: BXX
• InChI: InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5-/m1/s1
• InChIKey: HMFHBZSHGGEWLO-SQOUGZDYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)O
  ACDLabs 10.04: OC1C(OC(O)C1O)CO
• Formula: C5 H10 O5
• Name: beta-D-arabinofuranose;
  beta-D-arabinose;
  D-arabinose;
  arabinose
• ZINC: ZINC000001530353
• PDB chain: 7v1w Chain B Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7v1w Identification of difructose dianhydride I synthase/hydrolase from an oral bacterium establishes a novel glycoside hydrolase family.
• Resolution: 1.86 Å
• Binding residue (original residue number in PDB): W267 G269 E270 E291 D292 A297 W298
• Binding residue (residue number reindexed from 1): W265 G267 E268 E289 D290 A295 W296
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:7v1w, PDBe:7v1w, PDBj:7v1w
• PDBsum: 7v1w
• PubMed: 34688653
• UniProt: A0A6L9SN29