Structure of PDB 1axz Chain A Binding Site BS02

Receptor Information

>1axz Chain A (length=239) Species: 3843 (Erythrina corallodendron)

VETISFSFSEFEPGNDNLTLQGAALITQSGVLQLTKINQNGMPAWDSTGR
TLYAKPVHIWDMTTGTVASFETRFSFSIEQPYTRPLPADGLVFFMGPTKS
KPAQGYGYLGIFNNSKQDNSYQTLGVEFDTFSNPWDPPQVPHIGIDVNSI
RSIKTQPFQLDNGQVANVVIKYDASSKILHAVLVYPSSGAIYTIAEIVDV
KQVLPEWVDVGLSGATGAQRDAAETHDVYSWSFQASLPE

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: 1axz Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1axz Structures of the Erythrina corallodendron lectin and of its complexes with mono- and disaccharides.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): D89 G107 F131 N133 G217 A218 Q219
• Binding residue (residue number reindexed from 1): D89 G107 F131 N133 G217 A218 Q219
• Annotation score: 4
• Binding affinity: MOAD: Ka=1570M^-1
  PDBbind-CN: -logKd/Ki=3.20,Kd=0.637mM

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:1axz, PDBe:1axz, PDBj:1axz
• PDBsum: 1axz
• PubMed: 9545381
• UniProt: P16404|LEC_ERYCO Lectin