Structure of PDB 3lya Chain A Binding Site BS12

Receptor Information
>3lya Chain A (length=318) 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]
ILLNPRDIDINMVNKSCNSWSSPYQLSYAIGVGDLVATSLNTFSTFMVHD
KINYNIDEPSSSGKTLSIAFVNQRQYRAQQCFMSIKLVDNADGSTMLDKR
YVITNGNQLAIQNDLLESLSKALNQPWPQRMQETLQKILPHRGALLTNFY
QAHDYLLHGDDKSLNRASELLGEIVQSSPEFTYARAEKALVDIVRHSQHP
LDEKQLAALNTEIDNIVTLPELNNLSIIYQIKAVSALVKGKTDESYQAIN
TGIDLEMSWLNYVLLGKVYEMKGMNREAADAYLTAFNLRPGANTLYWIEN
GIFQTSVPYVVPYLDKFL
Ligand information
Ligand IDRHE
InChIInChI=1S/6ClH.Re/h6*1H;/q;;;;;;+6/p-6
InChIKeyGSGIQJBJGSKCDZ-UHFFFAOYSA-H
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.370
OpenEye OEToolkits 1.7.0		Cl[Re](Cl)(Cl)(Cl)(Cl)Cl
FormulaCl6 Re
Namerhenium (IV) hexachloride;
hexachlororhenate ion
ChEMBL
DrugBank
ZINC
PDB chain3lya Chain A Residue 12 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3lya Crystal structure of the sensory domain of Escherichia coli CadC, a member of the ToxR-like protein family.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L307 E308 W318 Q323
Binding residue
(residue number reindexed from 1)		L116 E117 W127 Q132
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q342 L355 E461 N466 R467
Catalytic site (residue number reindexed from 1) Q151 L164 E270 N275 R276
Enzyme Commision number ?
External links
PDB RCSB:3lya, PDBe:3lya, PDBj:3lya
PDBsum3lya
PubMed21308846
UniProtP23890|CADC_ECOLI Transcriptional activator CadC (Gene Name=cadC)

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