Structure of PDB 4end Chain A Binding Site BS01

Receptor Information
>4end Chain A (length=114) Species: 237531 (actinomycete K97-0003) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASVTIRNAQTGRLLDSNYNGNVYTLPANGGNYQRWTGPGDGTVRNAQTGR
CLDSNYDGAVYTLPCNGGSYQKWLFYSNGYIQNVETGRVLDSNYNGNVYT
LPANGGNYQKWYTG
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 chain4end Chain B Residue 1 [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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PDB4end Matured structure of anti-HIV lectin actinohivin in complex with 1,2-mannobiose
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D53 N55 Y61 Y70
Binding residue
(residue number reindexed from 1)		D53 N55 Y61 Y70
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4end, PDBe:4end, PDBj:4end
PDBsum4end
PubMed
UniProtQ9KWN0|AHV_ACTSK Actinohivin (Gene Name=ath)

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