Structure of PDB 4g1r Chain A Binding Site BS03

Receptor Information
>4g1r 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 chain4g1r Chain E 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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PDB4g1r Matured structure of anti-HIV lectin actinohivin in complex with alpha-1,2-mannobiose
Resolution1.57 Å
Binding residue
(original residue number in PDB)		D91 N93 Y99 N104 Y108
Binding residue
(residue number reindexed from 1)		D91 N93 Y99 N104 Y108
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4g1r, PDBe:4g1r, PDBj:4g1r
PDBsum4g1r
PubMed
UniProtQ9KWN0|AHV_ACTSK Actinohivin (Gene Name=ath)

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