Structure of PDB 6ljr Chain A Binding Site BS02

Receptor Information

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

MSFLTVPYKLPVSLSVGSCVIIKGTLIDSSINEPQLQVDFYTEMNEDSEI
AFHLNVRLGRRVVMNSREFGIWMLEENLHYVPFEDGKPFDLRIYVCLNEY
EVKVNGEYIYAFVHRIPPSYVKMIQVWRDVSLDSVLVNNG

Ligand information

• Ligand ID: GAL
• 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-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 6ljr Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ljr Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H56 N68 W75 E78
• Binding residue (residue number reindexed from 1): H53 N65 W72 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:6ljr, PDBe:6ljr, PDBj:6ljr
• PDBsum: 6ljr
• PubMed: 33011338
• UniProt: A8MUM7|LEG16_HUMAN Galectin-16 (Gene Name=LGALS16)