Structure of PDB 4b09 Chain A Binding Site BS01

Receptor Information

>4b09 Chain A (length=218) Species: 511145 (Escherichia coli str. K-12 substr. MG1655)

NTPRILIVEDEPKLGQLLIDYLRAASYAPTLISHGDQVLPYVRQTPPDLI
LLDLMLPGTDGLMLCREIRRFSDIPIVMVTAKIEEIDRLLGLEIGADDYI
CKPYSPREVVARVKTILRSPLIIDEGRFQASWRGKMLDLTPAEFRLLKTL
SHEPGKVFSREQLLNHLYDDYRVVTDRTIDSHIKNLRRKLESLDAEQSFI
RAVYGVGYRWEADACRIV

Ligand information

• Ligand ID: TBR
• InChI: InChI=1S/12BrH.6Ta/h12*1H;;;;;;/q;;;;;;;;;;;;;;;;;+1/p-1
• InChIKey: YWYIQTPPCOBSGN-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.7.0: Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)[Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1)(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6
  CACTVS 3.370: Br|1[Ta]|2|3|4|5|Br[Ta]|6|7|89%10|2|Br[Ta]|%11|%12|%13|%14|1|3|6Br|[Ta]|%15|%16|%17|7|%11(Br|[Ta]|%18|4|%12|%15(Br|%13)(Br|%14)|Br[Ta]|5|8|%16|%18(|Br9)(Br)Br|%17)|Br%10
• Formula: Br12 Ta6
• Name: HEXATANTALUM DODECABROMIDE;
  DODECABROMOHEXATANTALUM
• DrugBank: DB04119
• PDB chain: 4b09 Chain A Residue 1241

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4b09 The Dimeric Form of the Unphosphorylated Response Regulator Baer.
• Resolution: 3.3 Å
• Binding residue (original residue number in PDB): D44 D68 M71 L72 E75
• Binding residue (residue number reindexed from 1): D36 D60 M63 L64 E67
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0000156 phosphorelay response regulator activity
• GO:0000976 transcription cis-regulatory region binding
• GO:0003677 DNA binding

Biological Process

• GO:0000160 phosphorelay signal transduction system
• GO:0006355 regulation of DNA-templated transcription

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0032993 protein-DNA complex

External links

• PDB: RCSB:4b09, PDBe:4b09, PDBj:4b09
• PDBsum: 4b09
• PubMed: 23868292
• UniProt: P69229|BAER_ECOL6 Transcriptional regulatory protein BaeR (Gene Name=baeR)