Structure of PDB 5d9z Chain A Binding Site BS01

Receptor Information

>5d9z Chain A (length=109) Species: 4460 (Colocasia esculenta)

LGTNYLLSGQTLDREGHLKNGDFDLVMQDDCNLVLYNGNWQSNTANKGRD
CKLTLTDYGELVIKNGDGSTVWRSRAQSVKGNYAAVVHPDGRLVVFGPSV
FKIDPWVPG

Ligand information

• Ligand ID: BMA
• 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-RWOPYEJCSA-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
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-mannopyranose;
  beta-D-mannose;
  D-mannose;
  mannose
• ZINC: ZINC000003830679
• PDB chain: 5d9z Chain A Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5d9z High resolution crystal structures of Colocasia esculenta agglutinin with and without mannose
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): W40 W72 R75
• Binding residue (residue number reindexed from 1): W40 W72 R75
• Annotation score: 4

External links

• PDB: RCSB:5d9z, PDBe:5d9z, PDBj:5d9z
• PDBsum: 5d9z
• UniProt: R9RL27|CEA_COLES Mannose-specific lectin CEA (Gene Name=CEA)