Structure of PDB 3n36 Chain A Binding Site BS03

Receptor Information

>3n36 Chain A (length=242) Species: 3843 (Erythrina corallodendron)

VETISFSFSEFEPGNDNLTLQGASLITQSGVLQLTKINQNGMPAWDSTGR
TLYAKPVHIWDMTTGTVASFETRFSFSIEQPYTRPLPADGLVFFMGPTKS
KPAQGGGYLGIFNNSKQDNSYQTLGVEFDTFSNQWDPPQVPHIGIDVNSI
RSIKTQPFQLDNGQVANVVIKYDASSKILHAVLVYPSSGAIYTIAEIVDV
KQVLPEWVDVGLSGATGAQRDAAETHDVYSWSFQASLPETND

Ligand information

• Ligand ID: GLA
• 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-PHYPRBDBSA-N
• SMILES:
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
  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
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-galactopyranose;
  alpha-D-galactose;
  D-galactose;
  galactose;
  ALPHA D-GALACTOSE
• ChEMBL: CHEMBL1233058
• ZINC: ZINC000000901155
• PDB chain: 3n36 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3n36 Modification of the sugar specificity of a plant lectin: structural studies on a point mutant of Erythrina corallodendron lectin.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): D89 G107 N133 G217 A218 Q219 A222
• Binding residue (residue number reindexed from 1): D89 G107 N133 G217 A218 Q219 A222
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:3n36, PDBe:3n36, PDBj:3n36
• PDBsum: 3n36
• PubMed: 21358053
• UniProt: P16404|LEC_ERYCO Lectin