Structure of PDB 8hb5 Chain A Binding Site BS03

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 1003 [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)		V116 N118 E122 E205
Binding residue
(residue number reindexed from 1)		V52 N54 E58 E141
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links