Structure of PDB 3gxy Chain A Binding Site BS02

Receptor Information

>3gxy Chain A (length=101) Species: 45916 (Nostoc ellipsosporum)

LGKFSQTCYNSAIQGSVLTSTCERTNGGYNTSSIDLNSVIENVDGSLKWQ
PSNFIETCRNTQLAGSSELAAECKTRAQQFVSTKINLDDHIANIDGTLKY
E

Ligand information

• Ligand ID: MAN
• 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-PQMKYFCFSA-N
• SMILES:
  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
  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([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: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 3gxy Chain C Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3gxy Structures of the complexes of a potent anti-HIV protein cyanovirin-n and high mannose oligosaccharides
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): G2 K3 F4 Q6 T7
• Binding residue (residue number reindexed from 1): G2 K3 F4 Q6 T7
• Annotation score: 4
• Binding affinity: PDBbind-CN: -logKd/Ki=5.59,Kd=2.6uM

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

Biological Process

• GO:0050688 regulation of defense response to virus

External links

• PDB: RCSB:3gxy, PDBe:3gxy, PDBj:3gxy
• PDBsum: 3gxy
• PubMed: 12110688
• UniProt: P81180|CVN_NOSEL Cyanovirin-N