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Yorodumi- PDB-2jjx: THE CRYSTAL STRUCTURE OF UMP KINASE FROM BACILLUS ANTHRACIS (BA1797) -
+Open data
-Basic information
Entry | Database: PDB / ID: 2jjx | ||||||
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Title | THE CRYSTAL STRUCTURE OF UMP KINASE FROM BACILLUS ANTHRACIS (BA1797) | ||||||
Components | URIDYLATE KINASE | ||||||
Keywords | TRANSFERASE / STRUCTURAL GENOMICS / PYRIMIDINE BIOSYNTHESIS / ATP-BINDING / URIDYLATE KINASE / NUCLEOTIDE-BINDING / OPPF / PYRH / KINASE / CYTOPLASM / OXFORD PROTEIN PRODUCTION FACILITY (OPPF) / STRUCTURAL PROTEOMICS IN EUROPE (SPINE) | ||||||
Function / homology | Function and homology information UMP kinase / Transferases; Transferring phosphorus-containing groups; Phosphotransferases with a phosphate group as acceptor / UMP kinase activity / 'de novo' CTP biosynthetic process / ATP binding / cytoplasm Similarity search - Function | ||||||
Biological species | BACILLUS ANTHRACIS (anthrax bacterium) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.82 Å | ||||||
Authors | Meier, C. / Carter, L.G. / Mancini, E.J. / Owens, R.J. / Stuart, D.I. / Esnouf, R.M. / Oxford Protein Production Facility (OPPF) / Structural Proteomics in Europe (SPINE) | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2008 Title: The Crystal Structure of Ump Kinase from Bacillus Anthracis (Ba1797) Reveals an Allosteric Nucleotide-Binding Site. Authors: Meier, C. / Carter, L.G. / Sainsbury, S. / Mancini, E.J. / Owens, R.J. / Stuart, D.I. / Esnouf, R.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2jjx.cif.gz | 159.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2jjx.ent.gz | 126.4 KB | Display | PDB format |
PDBx/mmJSON format | 2jjx.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jj/2jjx ftp://data.pdbj.org/pub/pdb/validation_reports/jj/2jjx | HTTPS FTP |
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-Related structure data
Related structure data | 1z9dS S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper:
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-Components
#1: Protein | Mass: 28329.412 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) BACILLUS ANTHRACIS (anthrax bacterium) / Strain: AMES / Plasmid: GATEWAY / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): B834 References: UniProt: Q81S73, UniProt: A0A6L7HKK4*PLUS, UMP kinase #2: Chemical | #3: Chemical | ChemComp-MG / | #4: 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: 2.49 Å3/Da / Density % sol: 50.6 % / Description: NONE |
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Crystal grow | pH: 8 Details: 0.2 M LITHIUM SULPHATE, 10% POLYETHYLENE GLYCOL 3000, 0.1 M IMIDAZOLE (PH 8.0) |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.886 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Feb 27, 2005 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.886 Å / Relative weight: 1 |
Reflection | Resolution: 2.82→50 Å / Num. obs: 21872 / % possible obs: 98.5 % / Observed criterion σ(I): 0 / Redundancy: 8.1 % / Rmerge(I) obs: 0.1 / Net I/σ(I): 12.6 |
Reflection shell | Resolution: 2.82→2.93 Å / Redundancy: 7.1 % / Rmerge(I) obs: 0.77 / Mean I/σ(I) obs: 1.6 / % possible all: 98.8 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1Z9D Resolution: 2.82→50 Å / Cross valid method: THROUGHOUT / σ(F): 0 Details: REGIONS 20-23 AND 171-176 IN EACH CHAIN ARE POORLY ORDERED AND CLASH BETWEEN SYMMETRY RELATED COPIES RESIDUE PHE106 IN A AND B CHAINS CLASH WITH EACH OTHER WHILE RESIDUE PHE106 IN C CHAIN ...Details: REGIONS 20-23 AND 171-176 IN EACH CHAIN ARE POORLY ORDERED AND CLASH BETWEEN SYMMETRY RELATED COPIES RESIDUE PHE106 IN A AND B CHAINS CLASH WITH EACH OTHER WHILE RESIDUE PHE106 IN C CHAIN HAS A SYMMETRY RELATED CLASH WITH ITSELF THE ACTIVE SITE OF EACH CHAIN CONTAINS UNMODELLED ELECTRON DENSITY PRESUMED TO BE ATP WEAKLY BOUND IN THE ABSENCE OF BOUND UMP.
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Refinement step | Cycle: LAST / Resolution: 2.82→50 Å
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Refine LS restraints |
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