Structure of PDB 8hb5 Chain A Binding Site BS01

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8hb5 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		E168 N170 E176 N192 D193
Binding residue
(residue number reindexed from 1)		E104 N106 E112 N128 D129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links