Structure of PDB 3gxy Chain A Binding Site BS03

Receptor Information
>3gxy Chain A (length=101) Species: 45916 (Nostoc ellipsosporum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGKFSQTCYNSAIQGSVLTSTCERTNGGYNTSSIDLNSVIENVDGSLKWQ
PSNFIETCRNTQLAGSSELAAECKTRAQQFVSTKINLDDHIANIDGTLKY
E
Ligand information
Ligand IDMAN
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain3gxy Chain D Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3gxy Structures of the complexes of a potent anti-HIV protein cyanovirin-n and high mannose oligosaccharides
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N93 D95
Binding residue
(residue number reindexed from 1)		N93 D95
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=5.59,Kd=2.6uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Biological Process
GO:0050688 regulation of defense response to virus

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3gxy, PDBe:3gxy, PDBj:3gxy
PDBsum3gxy
PubMed12110688
UniProtP81180|CVN_NOSEL Cyanovirin-N

[Back to BioLiP]