Structure of PDB 4b09 Chain F Binding Site BS01

Receptor Information
>4b09 Chain F (length=216) Species: 511145 (Escherichia coli str. K-12 substr. MG1655) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTPRILIVEDEPKLGQLLIDYLRAASYAPTLISHGDQVLPYVRQTPPDLI
LLDLMLPGTDGLMLCREIRRFSDIPIVMVTAKIEEIDRLLGLEIGADDYI
CKPYSPREVVARVKTILPLIIDEGRFQASWRGKMLDLTPAEFRLLKTLSH
EPGKVFSREQLLNHLYDDYRVVTDRTIDSHIKNLRRKLESLDAEQSFIRA
VYGVGYRWEADACRIV
Ligand information
Ligand IDTBR
InChIInChI=1S/12BrH.6Ta/h12*1H;;;;;;/q;;;;;;;;;;;;;;;;;+1/p-1
InChIKeyYWYIQTPPCOBSGN-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0Br[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 3.370Br|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
FormulaBr12 Ta6
NameHEXATANTALUM DODECABROMIDE;
DODECABROMOHEXATANTALUM
ChEMBL
DrugBankDB04119
ZINC
PDB chain4b09 Chain F Residue 1241 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4b09 The Dimeric Form of the Unphosphorylated Response Regulator Baer.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		L64 P65 G66 D68
Binding residue
(residue number reindexed from 1)		L56 P57 G58 D60
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4b09, PDBe:4b09, PDBj:4b09
PDBsum4b09
PubMed23868292
UniProtP69229|BAER_ECOL6 Transcriptional regulatory protein BaeR (Gene Name=baeR)

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