Structure of PDB 5kth Chain A Binding Site BS04

Receptor Information
>5kth Chain A (length=143) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AELSCYSVKNCCPLKWFHFQSSCYLFSPDTMSWRASLKNCSSMGAHLVVI
NTQEEQEFLYYTKPRKKEFYIGLTDQVTEGQWQWVDGTPFTKSLSFWDAG
EPNNLVTVEDCATIRDSSNPRQNWNDVPCFFNMFRVCEMPERK
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 chain5kth Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5kth Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
Resolution2.21 Å
Binding residue
(original residue number in PDB)
V116 N118 E122 E205
Binding residue
(residue number reindexed from 1)
V49 N51 E55 E138
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links