Structure of PDB 1muq Chain E Binding Site BS02

Receptor Information

>1muq Chain E (length=134) Species: 8730 (Crotalus atrox)

NCPLDWLPMNGLCYKIFNQLKTWEDAEMFCRKYKPGCHLASFHRYGESLE
IAEYISDYHKGQENVWIGLRDKKKDFSWEWTDRSCTDYLTWDKNQPDHYQ
NKEFCVELVSLTGYRLWNDQVCESKDAFLCQCKF

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: 1muq Chain E Residue 305

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1muq X-ray Crystal Structure of a Galactose-Specific C-Type Lectin Possessing a Novel Decameric Quaternary Structure.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): Q96 D98 Y100 E104 N119
• Binding residue (residue number reindexed from 1): Q95 D97 Y99 E103 N118
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding
• GO:0038023 signaling receptor activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1muq, PDBe:1muq, PDBj:1muq
• PDBsum: 1muq
• PubMed: 15049685
• UniProt: P21963|LECG_CROAT C-type lectin Cal