Structure of PDB 5yrp Chain A Binding Site BS01

Receptor Information
>5yrp Chain A (length=224) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALVLHYLPEIDMRTGEVLAAEALVRWINLAGELGRWVLRTACAEFSRWRA
NGVGRNIVLRINVSPVQLVTDGFVESVAGIMKEFGLPRGSVCLEITESVV
VQDIETTRTTLTGLHNVGVQVAIDDFGTGYSVLSLLKSLPVDTLKIDRSF
VAELGSNPGDLPIVRAVIALAGAFGLQLVAEGVETERAALTLLRHGCYRA
QGFLLSKPILGSEMQTLLAKGRVP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5yrp Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5yrp The GDP-switched GAF domain of DcpA modulates the concerted synthesis/hydrolysis of c-di-GMP inMycobacterium smegmatis.
Resolution2.99 Å
Binding residue
(original residue number in PDB)		E384 N444 E476 D506
Binding residue
(residue number reindexed from 1)		E21 N62 E94 D124
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links