Structure of PDB 2gud Chain A Binding Site BS05

Receptor Information

>2gud Chain A (length=121) Species: 35158 (Griffithsia)

SLTHRKFGGSGGSPFSGLSSIAVRSGSYLDAIIIDGVHHGGSGGNLSPTF
TFGSGEYISNMTIRSGDYIDNISFETNMGRRFGPYGGSGGSANTLSNVKV
IQINGSAGDYLDSLDIYYEQY

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: 2gud Chain A Residue 126

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2gud Domain-swapped structure of the potent antiviral protein griffithsin and its mode of carbohydrate binding.
• Resolution: 0.94 Å
• Binding residue (original residue number in PDB): G66 D67 Y68 D70 G89 G90
• Binding residue (residue number reindexed from 1): G66 D67 Y68 D70 G89 G90
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0005536 D-glucose binding
• GO:0005537 D-mannose binding
• GO:0030246 carbohydrate binding
• GO:0042802 identical protein binding
• GO:0046871 N-acetylgalactosamine binding

Biological Process

• GO:0008150 biological_process

External links

• PDB: RCSB:2gud, PDBe:2gud, PDBj:2gud
• PDBsum: 2gud
• PubMed: 16843894
• UniProt: P84801|GRFIN_GRISQ Griffithsin