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Structure of PDB 4b09 Chain C Binding Site BS01

Receptor Information
>4b09 Chain C (length=218) 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
CKPYSPREVVARVKTILRSPLIIDEGRFQASWRGKMLDLTPAEFRLLKTL
SHEPGKVFSREQLLNHLYDDYRVVTDRTIDSHIKNLRRKLESLDAEQSFI
RAVYGVGYRWEADACRIV
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 C 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)
G43 D44 D68 M71 L72 E75
Binding residue
(residue number reindexed from 1)
G35 D36 D60 M63 L64 E67
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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