Structure of PDB 6v1c Chain A Binding Site BS01

Receptor Information

>6v1c Chain A (length=53) Species: 9606 (Homo sapiens)

VGLSANQCAVPAKDRVDCGYPHVTPKECNNRGCCFDSRIPGVPWCFKPLQ
EAE

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: 6v1c Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6v1c Trefoil factors share a lectin activity that defines their role in mucus.
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): P24 H25 P43 G44 W47
• Binding residue (residue number reindexed from 1): P21 H22 P40 G41 W44
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003674 molecular_function
• GO:0005515 protein binding
• GO:0042802 identical protein binding

Biological Process

• GO:0010906 regulation of glucose metabolic process
• GO:0030277 maintenance of gastrointestinal epithelium

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space
• GO:0005737 cytoplasm
• GO:0030141 secretory granule

External links

• PDB: RCSB:6v1c, PDBe:6v1c, PDBj:6v1c
• PDBsum: 6v1c
• PubMed: 32404934
• UniProt: Q07654|TFF3_HUMAN Trefoil factor 3 (Gene Name=TFF3)