Structure of PDB 7bj4 Chain E Binding Site BS01

Receptor Information

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

ATPRWTREHASKIERTDETVVPIIYPPREDAAPEINGWDTWFLRERDGSI
ATVGGWRVIFSLTAPADLLPGKRHDVAEIRYFYSRDGETWFDGGPVFEGG
TRGSRQWAGSALLDDDGRLYVFYTASGRAGEAEITYEQRLAVGSGGSVVA
DDDGVRIEGPFAHGVLLEPDGERYEREEQSRGMIYTFRDPWFFEDPRSGK
TYLLFEANTPIPEGAGACGDPVWEEFNGSVGIAHSPTGDPTDWELCDPLL
EGICVNQELERPHVVVRNGFYYLFVSSHDHTFAPGLEGPDGLYGFVADSL
RGEYRPLNGSGLVLTNPANAPYQAYSWVAFSHREELLVSGFFNYYDLGGL
TLDDVATLSPDEQRAKFGGTLAPTVRVALSGDRTRITGTLSHGRIPLESE
ELPDLP

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: 7bj4 Chain O Residue 1

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): R81 H82 H286 Y333
• Binding residue (residue number reindexed from 1): R73 H74 H278 Y325
• Annotation score: 5

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