Structure of PDB 1of4 Chain A Binding Site BS05

Receptor Information
>1of4 Chain A (length=171) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARYVLAEEVDFSSPEEVKNWWNSGTWQAEFGSPDIEWNGEVGNGALQLNV
KLPGKSDWEEVRVARKFERLSECEILEYDIYIPNVEGLKGRLRPYAVLNP
GWVKIGLDMNNANVESAEIITFGGKEYRRFHVRIEFDRTAGVKELHIGVV
GDHLRYDGPIFIDNVRLYKRT
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 chain1of4 Chain A Residue 1181 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1of4 Structural and Thermodynamic Dissection of Specific Mannan Recognition by a Carbohydrate Binding Module, Tmcbm27
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D12 G44 G46 D165
Binding residue
(residue number reindexed from 1)		D10 G42 G44 D163
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links