+Open data
-Basic information
Entry | Database: PDB / ID: 1u2e | ||||||
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Title | Crystal Structure of the C-C bond hydrolase MhpC | ||||||
Components | 2-hydroxy-6-ketonona-2,4-dienedioic acid hydrolase | ||||||
Keywords | HYDROLASE / ALPHA/BETA HYDROLASE FOLD | ||||||
Function / homology | Function and homology information 2-hydroxy-6-oxonona-2,4-dienedioate hydrolase / 2-hydroxy-6-oxonona-2,4,7-trienedioate hydrolase activity / 3-(3-hydroxy)phenylpropionate catabolic process / 2-hydroxy-6-oxonona-2,4-dienedioate hydrolase activity / 3-phenylpropionate catabolic process / : / hydrolase activity / protein homodimerization activity / cytoplasm Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å | ||||||
Authors | Montgomery, M.G. / Dunn, G. / Mohammed, F. / Robertson, T. / Garcia, J.-L. / Coker, A. / Bugg, T.D.H. / Wood, S.P. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2005 Title: The Structure of the C-C Bond Hydrolase MhpC Provides Insights into its Catalytic Mechanism Authors: Dunn, G. / Montgomery, M.G. / Mohammed, F. / Coker, A. / Cooper, J.B. / Robertson, T. / Garcia, J.-L. / Bugg, T.D.H. / Wood, S.P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1u2e.cif.gz | 242.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1u2e.ent.gz | 193.1 KB | Display | PDB format |
PDBx/mmJSON format | 1u2e.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/u2/1u2e ftp://data.pdbj.org/pub/pdb/validation_reports/u2/1u2e | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 32105.631 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Gene: mhpC / Plasmid: pIPC / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: P77044, EC: 3.7.1.- #2: Chemical | ChemComp-CL / #3: Water | ChemComp-HOH / | |
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-Experimental details
-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 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8 Details: MPD, PEG 8000, Tris, Calcium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SRS / Beamline: PX14.2 / Wavelength: 0.87 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Oct 15, 2002 |
Radiation | Monochromator: Si 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→20 Å / Num. all: 73037 / Num. obs: 71688 / % possible obs: 93.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.6 % / Biso Wilson estimate: 38.2 Å2 / Rmerge(I) obs: 0.075 / Net I/σ(I): 6.3 |
Reflection shell | Resolution: 2.1→2.21 Å / Redundancy: 2 % / Rmerge(I) obs: 0.548 / Mean I/σ(I) obs: 1.3 / Num. unique all: 4674 / % possible all: 72.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: MAD structure of MhpC Resolution: 2.1→20 Å / Isotropic thermal model: anisotropic / Cross valid method: Free-R / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.1→20 Å
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Refine LS restraints |
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