Structure of PDB 7bj4 Chain J Binding Site BS02

Receptor Information

>7bj4 Chain J (length=406) Species: 795797 (Halalkalicoccus jeotgali B3)

ATPRWTREHASKIERTDETVVPIIYPPREDAAPEINGWDTWFLRERDGSI
ATVGGWRVIFSLTAPADLLPGKRHDVAEIRYFYSRDGETWFDGGPVFEGG
TRGSRQWAGSALLDDDGRLYVFYTASGRAGEAEITYEQRLAVGSGGSVVA
DDDGVRIEGPFAHGVLLEPDGERYEREEQSRGMIYTFRDPWFFEDPRSGK
TYLLFEANTPIPEGAGACGDPVWEEFNGSVGIAHSPTGDPTDWELCDPLL
EGICVNQELERPHVVVRNGFYYLFVSSHDHTFAPGLEGPDGLYGFVADSL
RGEYRPLNGSGLVLTNPANAPYQAYSWVAFSHREELLVSGFFNYYDLGGL
TLDDVATLSPDEQRAKFGGTLAPTVRVALSGDRTRITGTLSHGRIPLESE
ELPDLP

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: 7bj4 Chain U Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7bj4 Crystal structure of an inulosucrase from Halalkalicoccus jeotgali B3T, a halophilic archaeal strain.
• Resolution: 2.72 Å
• Binding residue (original residue number in PDB): H82 R196 E266 E268 H286
• Binding residue (residue number reindexed from 1): H74 R188 E258 E260 H278
• Annotation score: 2

Gene Ontology

Molecular Function

• GO:0050053 levansucrase activity

Biological Process

• GO:0009758 carbohydrate utilization

External links

• PDB: RCSB:7bj4, PDBe:7bj4, PDBj:7bj4
• PDBsum: 7bj4
• PubMed: 33783128
• UniProt: D8J9C2