Structure of PDB 5jo9 Chain A Binding Site BS02

Receptor Information

>5jo9 Chain A (length=239) Species: 375 (Bradyrhizobium japonicum)

ELEGKVAAVTGAASGIGLASAEAMLAAGARVVMVDRDEAALKALCNKHGD
TVIPLVVDLLDPEDCATLLPRVLEKACQLDILHANAGTYVGGDLVDADTM
AIDRMLNLNVNVVMKNVHDVLPHMIERRTGDIIVTSSLAAHFPTPWEPVY
ASSKWAINCFVQTVRRQVFKHGIRVGSISPGPVVSALLADWPPEKLKEAR
DSGSLLEASDVAEVVMFMLTRPRGMTIRDVLMLPTNFDL

Ligand information

• Ligand ID: SOR
• InChI: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
• InChIKey: FBPFZTCFMRRESA-JGWLITMVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
  CACTVS 3.341: OC[CH](O)[CH](O)[CH](O)[CH](O)CO
  ACDLabs 10.04: OC(C(O)CO)C(O)C(O)CO
  CACTVS 3.341: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
  OpenEye OEToolkits 1.5.0: C(C(C(C(C(CO)O)O)O)O)O
• Formula: C6 H14 O6
• Name: sorbitol;
  D-sorbitol;
  D-glucitol
• ChEMBL: CHEMBL1682
• DrugBank: DB01638
• ZINC: ZINC000018279893
• PDB chain: 5jo9 Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5jo9 Structural characterization of the thermostable Bradyrhizobium japonicumD-sorbitol dehydrogenase.
• Resolution: 2.894 Å
• Binding residue (original residue number in PDB): S140 E150 Y153 G184 W194
• Binding residue (residue number reindexed from 1): S137 E147 Y150 G181 W191
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): S140 Y153 K157
• Catalytic site (residue number reindexed from 1): S137 Y150 K154

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity

External links

• PDB: RCSB:5jo9, PDBe:5jo9, PDBj:5jo9
• PDBsum: 5jo9
• PubMed: 27827356
• UniProt: Q89FN7