Structure of PDB 3i76 Chain B Binding Site BS01

Receptor Information
>3i76 Chain B (length=229) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRYRTLLFDVDDTILDFQAAEALALRLLFEDQNIPLTNDMKAQYKTINQG
LWRAFEEGKMTRDEVVNTRFSALLKEYGYEADGALLEQKYRRFLEEGHQL
IDGAFDLISNLQQQFDLYIVTNGVSHTQYKRLRDSGLFPFFKDIFVSEDT
GFQKPMKEYFNYVFERIPQFSAEHTLIIGDSLTADIKGGQLAGLDTCWMN
PDMKPNVPEIIPTYEIRKLEELYHILNIE
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 chain3i76 Chain B Residue 1001 [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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PDB3i76 The crystal structure of the orthorhombic form of the putative HAD-hydrolase YfnB from Bacillus subtilis bound to magnesium reveals interdomain movement
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D10 D12 D181
Binding residue
(residue number reindexed from 1)		D9 D11 D180
Annotation score1
Enzymatic activity
Enzyme Commision number 3.-.-.-
Gene Ontology
Molecular Function
GO:0008253 5'-nucleotidase activity
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:3i76, PDBe:3i76, PDBj:3i76
PDBsum3i76
PubMed
UniProtO06480|YFNB_BACSU Putative HAD-hydrolase YfnB (Gene Name=yfnB)

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