Structure of PDB 1of3 Chain A Binding Site BS01

Receptor Information
>1of3 Chain A (length=176) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MASNEARYVLAEEVDFSSPEEVKNWWNSGTWQAEFGSPDIEWNGEVGNGA
LQLNVKLPGKSDWEEVRVARKFERLSECEILEYDIYIPNVEGLKGRLRPY
AVLNPGWVKIGLDMNNANVESAEIITFGGKEYRRFHVRIEFDRTAGVKEL
HIGVVGDHLRYDGPIFIDNVRLYKRT
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 chain1of3 Chain A Residue 1174 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1of3 Structural and Thermodynamic Dissection of Specific Mannan Recognition by a Carbohydrate Binding Module, Tmcbm27
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D12 G44 G46 D165
Binding residue
(residue number reindexed from 1)		D15 G47 G49 D168
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links