Structure of PDB 5gte Chain B Binding Site BS01

Receptor Information

>5gte Chain B (length=149) Species: 4679 (Allium cepa)

KWSGKVHALLPNTKPEQAWTLLKDFINLHKVMPSLSVCELVEGEANVVGC
VRYVKGIMHPIEEEFWAKEKLVALDNKNMSYSYIFTECFTGYEDYTATMQ
IVEGPEHKGSRFDWSFQCKYIEGMTESAFTEILQHWATEIGQKIEEVCS

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: 5gte Chain E Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5gte Dissecting the Stereocontrolled Conversion of Short-Lived Sulfenic Acid by Lachrymatory Factor Synthase
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): V121 E122
• Binding residue (residue number reindexed from 1): V102 E103
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 5.3.99.12: lachrymatory-factor synthase.

Gene Ontology

Molecular Function

• GO:0016853 isomerase activity

Cellular Component

• GO:0005773 vacuole

External links

• PDB: RCSB:5gte, PDBe:5gte, PDBj:5gte
• PDBsum: 5gte
• UniProt: P59082|LFS_ALLCE Lachrymatory-factor synthase (Gene Name=LFS)