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Yorodumi- PDB-1svv: Initial Stuctural Analysis of Leishmania major Threonine Aldolase -
+Open data
-Basic information
Entry | Database: PDB / ID: 1svv | ||||||
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Title | Initial Stuctural Analysis of Leishmania major Threonine Aldolase | ||||||
Components | THREONINE ALDOLASE | ||||||
Keywords | LYASE / structural genomics / Structural Genomics of Pathogenic Protozoa / SGPP / Protein Structure Initiative / PSI / Structural Genomics of Pathogenic Protozoa Consortium | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Leishmania major (eukaryote) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 2.1 Å | ||||||
Authors | Hol, W.G.J. / Robien, M.A. / Structural Genomics of Pathogenic Protozoa Consortium (SGPP) | ||||||
Citation | Journal: To be Published Title: Initial Structural Analysis of Leishmania major Threonine Aldolase Authors: Hol, W.G.J. / Robien, M.A. / Structural Genomics of Pathogenic Protozoa Consortium | ||||||
History |
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Remark 400 | COMPOUND THE SGPP ID FOR THIS PROTEIN IS LMAJ008024AAA. | ||||||
Remark 600 | HETEROGEN THE IDENTITY OF THE COORDINATING METAL IS UNCERTAIN AND IS LABELLED AS HET GROUP UNL, ...HETEROGEN THE IDENTITY OF THE COORDINATING METAL IS UNCERTAIN AND IS LABELLED AS HET GROUP UNL, UNKNOWN LIGAND; THE SITE WAS MODELED AS MANGANESE IN VIEW OF THE OBSERVED ANOMALOUS SIGNAL AND ELECTRON DENSITY AT THESE SITES, THE COORDINATE TEMPERATURE FACTORS, AND SIMILARITY TO SIMILAR MN LIGATION GEOMETRY; OTHER POSSIBILITIES, ESPECIALLY A PARTIAL OCCUPANCY ZN(II) WOULD BE GOOD ALTERNATIVES WHICH REMAIN UNDER INVESTIGATION. | ||||||
Remark 999 | SEQUENCE THE SEQUENCE IS ALSO AVAILABLE THROUGH PIR ENTRY T02833. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1svv.cif.gz | 139.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1svv.ent.gz | 116.4 KB | Display | PDB format |
PDBx/mmJSON format | 1svv.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/sv/1svv ftp://data.pdbj.org/pub/pdb/validation_reports/sv/1svv | HTTPS FTP |
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-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Details | The second part of the biological assembly is generated by the two fold axis: 1-y, 1-x, 1/2-z |
-Components
#1: Protein | Mass: 39925.797 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Leishmania major (eukaryote) / Gene: L4171.5 / Plasmid: PET14B / Production host: Escherichia coli (E. coli) / Strain (production host): BL21STAR/DE3 References: UniProt: O15839, UniProt: E9AC39*PLUS, L-threonine aldolase #2: Chemical | Num. of mol.: 2 / Source method: obtained synthetically #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: 2.9 Å3/Da / Density % sol: 57 % |
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Crystal grow | Temperature: 293 K / pH: 7.5 Details: PEG8000, HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 7.50 |
-Data collection
Diffraction | Mean temperature: 100 K | ||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 8.2.1 / Wavelength: 0.9794, 0.9494, 0.9797 | ||||||||||||
Detector | Type: ADSC QUANTUM 210 / Detector: CCD / Date: Feb 26, 2004 | ||||||||||||
Radiation | Monochromator: DOUBLE CRYSTAL SI(111) / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||
Radiation wavelength |
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Reflection | Resolution: 2.1→19.58 Å / Num. obs: 54773 / % possible obs: 100 % / Observed criterion σ(I): 0 |
-Processing
Software |
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Refinement | Method to determine structure: MAD / Resolution: 2.1→19.17 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.944 / SU B: 4.431 / SU ML: 0.116 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: ISOTROPIC / Cross valid method: THROUGHOUT / ESU R: 0.176 / ESU R Free: 0.157 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: Hydrogens have been added in the riding positions. An unidentified electron density feature remains in the final model, bounded approximately by residues Y45, G74, T76, H100, Y211, T215, ...Details: Hydrogens have been added in the riding positions. An unidentified electron density feature remains in the final model, bounded approximately by residues Y45, G74, T76, H100, Y211, T215, E223, A248 and K216. This density does not appear to closely resemble any known components of the current crystallization experiment nor the covalently modified K203 observed in the structure of 1JG8.pdb, a sequence homolog of the current entry.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 40.534 Å2
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Refinement step | Cycle: LAST / Resolution: 2.1→19.17 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.1→2.212 Å / Total num. of bins used: 10 /
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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