Structure of PDB 7smg Chain B Binding Site BS01

Receptor Information
>7smg Chain B (length=144) Species: 411901 (Bacteroides caccae ATCC 43185) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNTSTLLEKALQIAVKAHSGQIDKAGSAYIFHPIRVSNRCSTDDERIVAL
LHDTIEDTEVTAEYLLMEGFPRNIVDAILSVTRNEDESYDDFIKRSRLNP
IGRQVKLHDLEDNMDITRLNELTEKDIYRLNKYIKAYKYLKEHH
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 chain7smg Chain B Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7smg Identification of a broadly conserved family of enzymes that hydrolyze (p)ppApp.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H33 H53 D110
Binding residue
(residue number reindexed from 1)		H32 H52 D109
Annotation score4
External links