Structure of PDB 6x7h Chain A Binding Site BS02

Receptor Information
>6x7h Chain A (length=100) Species: 45916 (Nostoc ellipsosporum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNFSQACYNSAIQGSVLTSTCIRTNGGYNTSSYDLNSVIENVDGSLKWQG
SNFIETCRNTQLAGSSELAAECKTRAQQFVSTKINLDDHIAAIDGTLKYE
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 chain6x7h Chain C Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6x7h Design of novel cyanovirin-N variants by modulation of binding dynamics through distal mutations.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		E41 N42 S52 N53 F54 E56 T57
Binding residue
(residue number reindexed from 1)		E40 N41 S51 N52 F53 E55 T56
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Biological Process
GO:0050688 regulation of defense response to virus

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Molecular Function
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Biological Process
External links
PDB RCSB:6x7h, PDBe:6x7h, PDBj:6x7h
PDBsum6x7h
PubMed36472898
UniProtP81180|CVN_NOSEL Cyanovirin-N

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