Structure of PDB 4end Chain A Binding Site BS02

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 C 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)		D15 N17 Y23 L25 N28 Y32
Binding residue
(residue number reindexed from 1)		D15 N17 Y23 L25 N28 Y32
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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