Structure of PDB 3hns Chain L Binding Site BS01
Receptor Information
>3hns Chain L (length=214) Species:
10090
(Mus musculus) [
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DIQMTQTTSSLSASLGDRVTIGCRASQDIGSYLNWYQQKPDGAVRLLIYY
TSRLHSGVPSRFSGSGSGTHFSLTISNLEQEDIGTYFCHQDTKPPYTFGS
GTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKI
DGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKT
STSPIVKSFNRNEC
Ligand information
Ligand ID
AXR
InChI
InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(2-7)11-6/h3-9H,2H2,1H3/t3-,4-,5+,6+/m1/s1
InChIKey
NALRCAPFICWVAQ-ZXXMMSQZSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
COC1C(C(C(O1)CO)O)O
CACTVS 3.341
CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0
CO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O
CACTVS 3.341
CO[CH]1O[CH](CO)[CH](O)[CH]1O
ACDLabs 10.04
OC1C(OC(OC)C1O)CO
Formula
C6 H12 O5
Name
methyl alpha-D-arabinofuranoside;
1-O-methyl-alpha-D-arabinofuranoside;
methyl alpha-D-arabinoside;
methyl D-arabinoside;
methyl arabinoside
ChEMBL
DrugBank
ZINC
ZINC000017143134
PDB chain
3hns Chain A Residue 1 [
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Receptor-Ligand Complex Structure
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PDB
3hns
Structural insights into antibody recognition of mycobacterial polysaccharides.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
Y50 D91
Binding residue
(residue number reindexed from 1)
Y50 D91
Annotation score
1
External links
PDB
RCSB:3hns
,
PDBe:3hns
,
PDBj:3hns
PDBsum
3hns
PubMed
19577573
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