Structure of PDB 5dpn Chain A Binding Site BS05

Receptor Information
>5dpn Chain A (length=166) Species: 29549 (Rhodothermus marinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVANINGGFESTPAGVVTDLAEGVEGWDLNVGSSVTNPPVFEVLETSDAP
EGNKVLAVTVNGVGNNPFNIQATALPVNVRPGVTYTYTIRARAEQDGAVV
SFTVGNQSFDEYGRLHHQQITTEWQPFTFEFTVSDQETVIRAPIHFGYAA
NVGNTIYIDGLAIVDL
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 chain5dpn Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dpn Neutron Crystallographic Studies Reveal Hydrogen Bond and Water-Mediated Interactions between a Carbohydrate-Binding Module and Its Bound Carbohydrate Ligand.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		G9 E11 E52 K55 D160
Binding residue
(residue number reindexed from 1)		G8 E10 E51 K54 D159
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links