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Open data
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Basic information
Entry | Database: PDB / ID: 1b0k | |||||||||
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Title | S642A:FLUOROCITRATE COMPLEX OF ACONITASE | |||||||||
![]() | PROTEIN (ACONITASE) | |||||||||
![]() | LYASE / TRICARBOXYLIC ACID CYCLE / IRON-SULFUR / MITOCHONDRION / TRANSIT PEPTIDE | |||||||||
Function / homology | ![]() aconitate hydratase / aconitate hydratase activity / tricarboxylic acid cycle / 4 iron, 4 sulfur cluster binding / mitochondrion / metal ion binding / cytosol Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() | |||||||||
![]() | Lloyd, S.J. / Lauble, H. / Prasad, G.S. / Stout, C.D. | |||||||||
![]() | ![]() Title: The mechanism of aconitase: 1.8 A resolution crystal structure of the S642a:citrate complex. Authors: Lloyd, S.J. / Lauble, H. / Prasad, G.S. / Stout, C.D. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 164.6 KB | Display | ![]() |
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PDB format | ![]() | 127.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 410.4 KB | Display | ![]() |
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Full document | ![]() | 427.9 KB | Display | |
Data in XML | ![]() | 17.7 KB | Display | |
Data in CIF | ![]() | 28.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1b0jC ![]() 1b0mC ![]() 1c96C ![]() 1c97C ![]() 1fghS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 82661.945 Da / Num. of mol.: 1 / Mutation: S642A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-FLC / |
#3: Chemical | ChemComp-SF4 / |
#4: Chemical | ChemComp-O / |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.97 Å3/Da / Density % sol: 57 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 7 / Details: pH 7.0 | ||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 26 ℃ / Method: vapor diffusion, sitting drop | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 291 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→20 Å / Num. obs: 30924 / % possible obs: 91.8 % / Observed criterion σ(I): 0 / Redundancy: 2.9 % / Rsym value: 0.144 / Net I/σ(I): 4.5 |
Reflection shell | Resolution: 2.5→2.63 Å / Redundancy: 2.7 % / Mean I/σ(I) obs: 1.6 / Rsym value: 0.411 / % possible all: 86.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1FGH Resolution: 2.5→20 Å / Isotropic thermal model: RESTRAINED / σ(F): 0 / Details: BULK SOLVENT CORRECTION
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Displacement parameters | Biso mean: 24.3 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.5→20 Å
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Refine LS restraints |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 20 Å / σ(F): 0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 24.3 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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