Structure of PDB 3djb Chain B Binding Site BS01

Receptor Information
>3djb Chain B (length=188) Species: 180856 ([Bacillus thuringiensis] serovar konkukian) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKQEKIEKTITFVKHILEKDASGHDWYHIRRVHKMAISLSEQEGGNRFII
EMAALLHDVADLNESEEAGMKKVSDWLEELHVEEEESKHVLHIIANMSIE
GKLVQDADRLDALGAIGIARTFAYGGAKGRLMYDPTIPPRDPSLNHFYEK
LLKLKDLMNTNAAKQEAEVRHRYMEQFIEQFMKEWNAQ
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 chain3djb Chain B Residue 224 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3djb Crystal structure of a HD-superfamily hydrolase (BT9727_1981) from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR114
Resolution2.9 Å
Binding residue
(original residue number in PDB)		H29 H58 D122
Binding residue
(residue number reindexed from 1)		H28 H57 D108
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3djb, PDBe:3djb, PDBj:3djb
PDBsum3djb
PubMed
UniProtQ6HJG6

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