ACETOACETYL-COA IS THE MOST EFFECTIVE INHIBITOR OF THE ENOYL-COA HYDRATASE REACTION THAT IS DESCRIBED.
Sequence details
A 29 AMINO ACID N-TERMINAL LEADING SEQUENCE OF THE PROTEIN IS CLEAVED OFF UPON IMPORT INTO THE ...A 29 AMINO ACID N-TERMINAL LEADING SEQUENCE OF THE PROTEIN IS CLEAVED OFF UPON IMPORT INTO THE MITOCHONDRION. THE RESIDUE NUMBERING SCHEME IS ADAPTED FROM THE GENE SEQUENCE AND STARTS THEREFORE WITH GLY 30.
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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: 2.59 Å3/Da / Density % sol: 53 %
Crystal grow
pH: 6.5 Details: 100 MM MES/NAOH PH 6.5, 2.5 M AMMONIUM SULFATE, 10% OCTANOL, 1 MM DTT, 1 MM EDTA, 1 MM NA-AZIDE, 1 MM ACETOACETYL-COA.
Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.857 Å / Relative weight: 1
Reflection
Resolution: 2.5→28.6 Å / Num. obs: 58197 / % possible obs: 95.7 % / Observed criterion σ(I): 0 / Redundancy: 4.2 % / Biso Wilson estimate: 22.77 Å2 / Rmerge(I) obs: 0.068 / Net I/σ(I): 14.3
Reflection shell
Resolution: 2.5→2.59 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.18 / Mean I/σ(I) obs: 5.6 / % possible all: 97.8
Reflection
*PLUS
Num. measured all: 243398
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Processing
Software
Name
Version
Classification
MLPHARE
phasing
X-PLOR
3.1
refinement
DENZO
datareduction
Refinement
Method to determine structure: MIR / Resolution: 2.5→8 Å / Cross valid method: R-FREE / σ(F): 0 Details: ONLY 5 OF THE 6 SUBUNITS IN THE ASYMMETRIC UNIT HAVE A LIGAND BOUND. IN THE BINDING SITE OF SUBUNIT D A CLASH OF THE 3'-PHOSPHATE OF ACETO-ACETYL-COA WITH THE LOOP LYS 41 TO SER 45 OF A ...Details: ONLY 5 OF THE 6 SUBUNITS IN THE ASYMMETRIC UNIT HAVE A LIGAND BOUND. IN THE BINDING SITE OF SUBUNIT D A CLASH OF THE 3'-PHOSPHATE OF ACETO-ACETYL-COA WITH THE LOOP LYS 41 TO SER 45 OF A CRYSTALLOGRAPHIC SYMMETRY RELATED D SUBUNITS PREVENTS THE LIGAND FROM BINDING.
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