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Open data
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Basic information
Entry | Database: PDB / ID: 1b0m | |||||||||
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Title | ACONITASE R644Q:FLUOROCITRATE COMPLEX | |||||||||
![]() | PROTEIN (ACONITASE) | |||||||||
![]() | HYDROLASE / ACONITASE R644Q / FLUOROCITRATE COMPLEX | |||||||||
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 | ![]() | 167.8 KB | Display | ![]() |
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PDB format | ![]() | 129.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 409.9 KB | Display | ![]() |
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Full document | ![]() | 434.6 KB | Display | |
Data in XML | ![]() | 19 KB | Display | |
Data in CIF | ![]() | 29.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1b0jC ![]() 1b0kC ![]() 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: 82648.875 Da / Num. of mol.: 1 / Mutation: R644Q Source method: isolated from a genetically manipulated source Details: [4FE-4S] BOUND BY CYS 358, CYS 421, CYS 424 / Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-FLC / |
#3: Chemical | ChemComp-SF4 / |
#4: Water | ChemComp-HOH / |
Nonpolymer details | 4 STEREOISOMERS OF FLUOROCITRATE, F ATOM NOT SEEN IN DENSITY, H ATOMS NOT MODELED, CARBOXYL GROUPS ...4 STEREOISOM |
Sequence details | 1ATQ SWS P16276 1 - 28 NOT IN ATOMS LIST THIS IS RECOMBINANT PORCINE MITOCHONDRIAL ACONITASE - ...1ATQ SWS P16276 1 - 28 NOT IN ATOMS LIST THIS IS RECOMBINAN |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.81 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 | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 277 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.08 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→20 Å / Num. obs: 27625 / % possible obs: 84.9 % / Observed criterion σ(I): 0 / Redundancy: 2.3 % / Rsym value: 0.08 / Net I/σ(I): 5.4 |
Reflection shell | Resolution: 2.5→2.63 Å / Redundancy: 1.9 % / Mean I/σ(I) obs: 1.5 / Rsym value: 0.277 / % possible all: 83 |
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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
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Displacement parameters | Biso mean: 21.9 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: 21.9 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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