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Yorodumi- PDB-1b4e: X-ray structure of 5-aminolevulinic acid dehydratase complexed wi... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1b4e | ||||||
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Title | X-ray structure of 5-aminolevulinic acid dehydratase complexed with the inhibitor levulinic acid | ||||||
Components | PROTEIN (5-AMINOLEVULINIC ACID DEHYDRATASE) | ||||||
Keywords | LYASE / DEHYDRATASE | ||||||
Function / homology | Function and homology information porphobilinogen synthase / porphobilinogen synthase activity / protoporphyrinogen IX biosynthetic process / heme biosynthetic process / magnesium ion binding / zinc ion binding / cytosol Similarity search - Function | ||||||
Biological species | Escherichia coli (E. coli) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2 Å | ||||||
Authors | Erskine, P.T. / Cooper, J.B. / Lewis, G. / Spencer, P. / Wood, S.P. / Shoolingin-Jordan, P.M. | ||||||
Citation | Journal: Biochemistry / Year: 1999 Title: X-ray structure of 5-aminolevulinic acid dehydratase from Escherichia coli complexed with the inhibitor levulinic acid at 2.0 A resolution. Authors: Erskine, P.T. / Norton, E. / Cooper, J.B. / Lambert, R. / Coker, A. / Lewis, G. / Spencer, P. / Sarwar, M. / Wood, S.P. / Warren, M.J. / Shoolingin-Jordan, P.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1b4e.cif.gz | 86.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1b4e.ent.gz | 63.6 KB | Display | PDB format |
PDBx/mmJSON format | 1b4e.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/b4/1b4e ftp://data.pdbj.org/pub/pdb/validation_reports/b4/1b4e | 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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Unit cell |
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-Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 35537.566 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Gene: HEM2 / Production host: Escherichia coli (E. coli) / References: UniProt: P0ACB2, porphobilinogen synthase |
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-Non-polymers , 5 types, 381 molecules
#2: Chemical | #3: Chemical | #4: Chemical | ChemComp-SHF / | #5: Chemical | #6: 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: 4 Å3/Da / Density % sol: 71 % | |||||||||||||||||||||||||||||||||||
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Crystal grow | Method: vapor diffusion, hanging drop / pH: 8.2 Details: 7MG/ML ENZYME AND 2 - 5 % SATURATED AMMONIUM SULPHATE AS PRECIPITANT. 0.2 M TRIS-HCL USED TO BUFFER THE PH BETWEEN 8.1 AND 8.4. 15MM LEVULINIC ACID, 40UM ZINC SULPHATE AND 4MM BETA- ...Details: 7MG/ML ENZYME AND 2 - 5 % SATURATED AMMONIUM SULPHATE AS PRECIPITANT. 0.2 M TRIS-HCL USED TO BUFFER THE PH BETWEEN 8.1 AND 8.4. 15MM LEVULINIC ACID, 40UM ZINC SULPHATE AND 4MM BETA- MERCAPTOETHANOL WERE PRESENT., pH 8.2, VAPOR DIFFUSION, HANGING DROP | |||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS PH range low: 8.4 / PH range high: 8.1 | |||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SRS / Beamline: PX9.6 / Wavelength: 0.87 |
Detector | Type: MAR scanner 300 mm plate / Detector: IMAGE PLATE / Date: Mar 15, 1994 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 |
Reflection | Resolution: 2→8 Å / Num. obs: 33275 / % possible obs: 85.8 % / Observed criterion σ(I): 0 / Redundancy: 2.5 % / Rmerge(I) obs: 0.063 / Net I/σ(I): 8.8 |
Reflection shell | Resolution: 2→2.1 Å / Redundancy: 1.6 % / Rmerge(I) obs: 0.297 / Mean I/σ(I) obs: 2.1 / % possible all: 70.8 |
Reflection | *PLUS Lowest resolution: 7.7 Å |
Reflection shell | *PLUS % possible obs: 70.8 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: YEAST ALAD Resolution: 2→8 Å / Cross valid method: THROUGHOUT / σ(F): 0
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Refinement step | Cycle: LAST / Resolution: 2→8 Å
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Refine LS restraints |
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Software | *PLUS Name: RESTRAIN / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 7.7 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |