- PDB-5aqc: KstR, transcriptional repressor of cholesterol degradation in Myc... -
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Open data
ID or keywords:
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Basic information
Entry
Database: PDB / ID: 5aqc
Title
KstR, transcriptional repressor of cholesterol degradation in Mycobacterium tuberculosis, bound to the cholesterol coenzyme A derivative, (25R)-3-oxocholest-4-en-26-oyl-CoA.
Components
HTH-TYPE TRANSCRIPTIONAL REPRESSOR KSTR
Keywords
TRANSCRIPTION
Function / homology
Function and homology information
transcription cis-regulatory region binding / DNA-binding transcription factor activity / regulation of DNA-templated transcription / protein homodimerization activity / DNA binding Similarity search - Function
Journal: To be Published Title: Kstr, Transcriptional Repressor of Cholesterol Degradation in Mycobacterium Tuberculosis, Bound to the Cholesterol Coenzyme a Derivative, (25S)-3- Oxocholest-4-En-26-Oyl-Coa. Authors: Podust, L.M. / Ouellet, H.
Mass: 18.015 Da / Num. of mol.: 227 / Source method: isolated from a natural source / Formula: H2O
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Details
Nonpolymer details
2-METHYL-2,4-PENTANEDIOL (MPD): PART OF CRYSTALLIZATION CONDITIONS SULFATE ION (SO4): PART OF ...2-METHYL-2,4-PENTANEDIOL (MPD): PART OF CRYSTALLIZATION CONDITIONS SULFATE ION (SO4): PART OF CRYSTALLIZATION CONDITIONS GLYCEROL (GOL): CRYOPROTECTANT (25S)-3-OXOCHOLEST-4-EN-26-OYL-COA (5JB): LIGAND OF THE KSTR TRANSCRIPTIONAL REPRESSOR. ONLY 3-OXOCHOLEST-4-EN-26-OYL END IS VISIBLE IN THE STRUCTURE
Sequence details
22 AMINO ACID RESIDUES AT THE N-TERMINUS ARE TRUNCATED. 6- HIS TAG IS ENGINEERED AT THE C-TERMINUS
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Experimental details
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Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
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Sample preparation
Crystal
Density Matthews: 2.15 Å3/Da / Density % sol: 42.8 % / Description: NONE
Resolution: 1.66→61.29 Å / Cor.coef. Fo:Fc: 0.966 / Cor.coef. Fo:Fc free: 0.95 / SU B: 2.616 / SU ML: 0.085 / Cross valid method: THROUGHOUT / ESU R: 0.103 / ESU R Free: 0.106 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22604
2244
5.1 %
RANDOM
Rwork
0.1838
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obs
0.18603
42163
92.32 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK