Structure of PDB 3wo1 Chain A Binding Site BS02

Receptor Information
>3wo1 Chain A (length=466) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKTVLVIADLGGCPPHMFYKSAAEKYNLVSFIPRPFAITASHAALIEKYS
VAVIKDKDYFKSLADFEHPDSIYWAHEDHNKPEEEVVEQIVKVAEMFGAD
AITTNNELFIAPMAKACERLGLRGAGVQAAENARDKNKMRDAFNKAGVKS
IKNKRVTTLEDFRAALEEIGTPLILKPTYLASSIGVTLITDTETAEDEFN
RVNDYLKSINVPKAVTFEAPFIAEEFLQGEYGDWYQTEGYSDYISIEGIM
ADGEYFPIAIHDKTPQIGFTETSHITPSILDEEAKKKIVEAAKKANEGLG
LQNCATHTEIKLMKNREPGLIESAARFAGANMIPNIKKVFGLDMAQLLLD
VLCFGKDADLPDGLLDQEPYYVADCHLYPQHFKQNGQIPETAEDLVIEAI
DIPDGLLKGDTEIVSFSAAAPGTSVDLTLFEAFNSIAAFELKGSNSQDVA
ESIRQIQQHAKLTAKY
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 chain3wo1 Chain A Residue 502 [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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PDB3wo1 Single Mutation Alters the Substrate Specificity of l-Amino Acid Ligase
Resolution2.3 Å
Binding residue
(original residue number in PDB)		E311 E324
Binding residue
(residue number reindexed from 1)		E309 E322
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.2.49: L-alanine--L-anticapsin ligase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0034026 L-amino-acid alpha-ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3wo1, PDBe:3wo1, PDBj:3wo1
PDBsum3wo1
PubMed24702628
UniProtP39641|BACD_BACSU Alanine--anticapsin ligase (Gene Name=bacD)

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