Structure of PDB 4hv6 Chain A Binding Site BS01

Receptor Information

>4hv6 Chain A (length=133) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168)

TTPSMEDYIEQIYMLIEEKGYARVSDIAEALAVHPSSVTKMVQKLDKDEY
LIYEKYRGLVLTSKGKKIGKRLVYRAELLEQFLRIIGVDEEKIYNDVEGI
EHHLSWNSIDRIGDLVQYFEEDDARKKDLKSIQ

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4hv6 Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4hv6 Roles of the A and C sites in the manganese-specific activation of MntR.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): D8 E99 E102 H103
• Binding residue (residue number reindexed from 1): D7 E98 E101 H102
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003700 DNA-binding transcription factor activity
• GO:0030145 manganese ion binding
• GO:0046872 metal ion binding
• GO:0046914 transition metal ion binding
• GO:0046983 protein dimerization activity

Biological Process

• GO:0006355 regulation of DNA-templated transcription
• GO:0030026 intracellular manganese ion homeostasis

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4hv6, PDBe:4hv6, PDBj:4hv6
• PDBsum: 4hv6
• PubMed: 23298157
• UniProt: P54512|MNTR_BACSU HTH-type transcriptional regulator MntR (Gene Name=mntR)