+Open data
-Basic information
Entry | Database: PDB / ID: 2nsl | |||||||||
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Title | E. coli PurE H45N mutant complexed with CAIR | |||||||||
Components | Phosphoribosylaminoimidazole carboxylase catalytic subunit | |||||||||
Keywords | LYASE / central three layer alpha-beta-alpha sandwich / kinked C-terminal helix | |||||||||
Function / homology | Function and homology information 5-(carboxyamino)imidazole ribonucleotide mutase / 5-(carboxyamino)imidazole ribonucleotide mutase activity / 'de novo' IMP biosynthetic process / identical protein binding / cytosol Similarity search - Function | |||||||||
Biological species | Escherichia coli (E. coli) | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2 Å | |||||||||
Authors | Ealick, S.E. / Morar, M. | |||||||||
Citation | Journal: Biochemistry / Year: 2007 Title: N(5)-CAIR Mutase: Role of a CO(2) Binding Site and Substrate Movement in Catalysis. Authors: Hoskins, A.A. / Morar, M. / Kappock, T.J. / Mathews, I.I. / Zaugg, J.B. / Barder, T.E. / Peng, P. / Okamoto, A. / Ealick, S.E. / Stubbe, J. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2nsl.cif.gz | 47.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2nsl.ent.gz | 32.1 KB | Display | PDB format |
PDBx/mmJSON format | 2nsl.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ns/2nsl ftp://data.pdbj.org/pub/pdb/validation_reports/ns/2nsl | HTTPS FTP |
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-Related structure data
Related structure data | 2ateSC 2nshC 2nsjC S: Starting model for refinement C: citing same article (ref.) |
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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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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 17775.227 Da / Num. of mol.: 1 / Mutation: H45N Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Gene: purE / Production host: Escherichia coli (E. coli) References: UniProt: P0AG18, phosphoribosylaminoimidazole carboxylase |
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#2: Chemical | ChemComp-C2R / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.14 Å3/Da / Density % sol: 42.59 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 25% PEG400, 0.2M magnesium chloride, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU / Wavelength: 1.542 |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: May 13, 2006 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.542 Å / Relative weight: 1 |
Reflection | Resolution: 2→35.2 Å / Num. all: 10623 / Num. obs: 10410 / % possible obs: 96.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Biso Wilson estimate: 21.7 Å2 |
Reflection shell | Resolution: 2→2.13 Å / % possible all: 93 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2ATE Resolution: 2→35.2 Å / Rfactor Rfree error: 0.007 / Data cutoff high absF: 150438.81 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 54.0614 Å2 / ksol: 0.361258 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 32 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→35.2 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.13 Å / Rfactor Rfree error: 0.019 / Total num. of bins used: 6
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Xplor file |
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