Structure of PDB 8hb5 Chain A Binding Site BS04

Receptor Information
>8hb5 Chain A (length=146) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AELSCYNDGSVKNCCPLKWFHFQSSCYLFSPDTMSWRASLKNCSSMGAHL
VVINTQEEQEFLYYTKPRKKEFYIGLTDQVTEGQWQWVDGTPFTKSLSFW
DAGEPNNLVTVEDCATIRDSSNPRQNWNDVPCFFNMFRVCEMPERK
Ligand information
Ligand IDL6N
InChIInChI=1S/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
InChIKeyQWJKEQVWXSYDJA-XUUWZHRGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COCC1C(C(C(C(O1)O)O)O)O
CACTVS 3.385COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.385COC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC7 H14 O6
Name(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol
ChEMBL
DrugBank
ZINC
PDB chain8hb5 Chain A Residue 1004 [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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PDB8hb5 PGL-III, a Rare Intermediate of Mycobacterium leprae Phenolic Glycolipid Biosynthesis, Is a Potent Mincle Ligand.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		E176 R182 F198
Binding residue
(residue number reindexed from 1)		E112 R118 F134
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links