Structure of PDB 6ljq Chain A Binding Site BS01

Receptor Information

>6ljq Chain A (length=140) Species: 9606 (Homo sapiens)

MSFLTVPYKLPVSLSVGSCVIIKGTLIDSSINEPQLQVDFYTEMNEDSEI
AFHLNVHLGRRVVMNSREFGIWMLEENLHYVPFEDGKPFDLRIYVCLNEY
EVKVNGEYIYAFVHRIPPSYVKMIQVWRDVSLDSVLVNNG

Ligand information

• Ligand ID: BGC
• 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-VFUOTHLCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-glucopyranose;
  beta-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL1614854
• DrugBank: DB02379
• ZINC: ZINC000003833800
• PDB chain: 6ljq Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ljq Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
• Resolution: 1.49 Å
• Binding residue (original residue number in PDB): R64 E78
• Binding residue (residue number reindexed from 1): R61 E75
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding
• GO:0030395 lactose binding

Biological Process

• GO:0006915 apoptotic process
• GO:0070234 positive regulation of T cell apoptotic process

Cellular Component

• GO:0005575 cellular_component

External links

• PDB: RCSB:6ljq, PDBe:6ljq, PDBj:6ljq
• PDBsum: 6ljq
• PubMed: 33011338
• UniProt: A8MUM7|LEG16_HUMAN Galectin-16 (Gene Name=LGALS16)