Structure of PDB 3f8n Chain A Binding Site BS01

Receptor Information
>3f8n Chain A (length=137) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HELKEALETLKETGVRITPQRHAILEYLVNSMAHPTADDIYKALEGKFPN
MSVATVYNNLRVFRESGLVKELTYGDASSRFDFVTSDHYHAICENCGKIV
DFHYPGLDEVEQLAAHVTGFKVSHHRLEIYGVCQECS
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3f8n Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3f8n Structural characterization of the active form of PerR: insights into the metal-induced activation of PerR and Fur proteins for DNA binding
Resolution3.15 Å
Binding residue
(original residue number in PDB)		H37 D85 H91 H93 D104
Binding residue
(residue number reindexed from 1)		H34 D82 H88 H90 D101
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0001216 DNA-binding transcription activator activity
GO:0001217 DNA-binding transcription repressor activity
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0045892 negative regulation of DNA-templated transcription
GO:0045893 positive regulation of DNA-templated transcription
GO:1900376 regulation of secondary metabolite biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0032993 protein-DNA complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3f8n, PDBe:3f8n, PDBj:3f8n
PDBsum3f8n
PubMed19508285
UniProtP71086|PERR_BACSU Peroxide operon regulator (Gene Name=perR)

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