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Yorodumi- PDB-3cq2: Structure of the DTDP-4-Keto-L-Rhamnose Reductase related protein... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3cq2 | ||||||
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Title | Structure of the DTDP-4-Keto-L-Rhamnose Reductase related protein (other form) from Thermus Thermophilus HB8 | ||||||
Components | Putative uncharacterized protein TTHB138 | ||||||
Keywords | OXIDOREDUCTASE / Thermus Thermophilus / DTDP-4-Keto-L-Rhamnose Reductase / Plasmid / Structural Genomics / NPPSFA / National Project on Protein Structural and Functional Analyses / RIKEN Structural Genomics/Proteomics Initiative / RSGI | ||||||
Function / homology | : / Fe-S cluster assembly (FSCA) / MIP18 family-like / Iron-sulfur cluster assembly protein / Fe-S cluster assembly domain superfamily / GMP Synthetase; Chain A, domain 3 / 2-Layer Sandwich / Alpha Beta / MIP18 family-like domain-containing protein Function and homology information | ||||||
Biological species | Thermus thermophilus (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å | ||||||
Authors | Jeyakanthan, J. / Kanaujia, S.P. / Sekar, K. / Satoh, S. / Kitamura, Y. / Ebihara, A. / Chen, L. / Liu, Z.J. / Wang, B.C. / Yokoyama, S. ...Jeyakanthan, J. / Kanaujia, S.P. / Sekar, K. / Satoh, S. / Kitamura, Y. / Ebihara, A. / Chen, L. / Liu, Z.J. / Wang, B.C. / Yokoyama, S. / Kuramitsu, S. / RIKEN Structural Genomics/Proteomics Initiative (RSGI) | ||||||
Citation | Journal: To be Published Title: Structure of the DTDP-4-Keto-L-Rhamnose Reductase related protein from Thermus Thermophilus HB8 Authors: Jeyakanthan, J. / Kanaujia, S.P. / Sekar, K. / Satoh, S. / Kitamura, Y. / Ebihara, A. / Chen, L. / Liu, Z.J. / Wang, B.C. / Yokoyama, C. / Kuramitsu, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3cq2.cif.gz | 93.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3cq2.ent.gz | 71.6 KB | Display | PDB format |
PDBx/mmJSON format | 3cq2.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3cq2_validation.pdf.gz | 460.8 KB | Display | wwPDB validaton report |
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Full document | 3cq2_full_validation.pdf.gz | 471.3 KB | Display | |
Data in XML | 3cq2_validation.xml.gz | 20.6 KB | Display | |
Data in CIF | 3cq2_validation.cif.gz | 29 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cq/3cq2 ftp://data.pdbj.org/pub/pdb/validation_reports/cq/3cq2 | HTTPS FTP |
-Related structure data
Related structure data | 2cu6S S: Starting model for refinement |
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Similar structure data | |
Other databases |
-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: 11495.020 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermus thermophilus (bacteria) / Strain: HB8 / Plasmid: PET11A / Production host: Escherichia coli (E. coli) / Strain (production host): B834(DE3) / References: UniProt: Q53W28 #2: 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: 2.32 Å3/Da / Density % sol: 47.03 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 4.6 Details: 0.1M Sodium Acetate, 0.1M Ammonium Phosphate, pH4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 22-BM / Wavelength: 0.9686 Å |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jul 15, 2004 / Details: RH Coated Bent-Cyrindrical MIRROR |
Radiation | Monochromator: SI 1 1 1 DOUBLE CRYSTAL MONOCHROMATOR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9686 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→50 Å / Num. obs: 33830 / % possible obs: 99.1 % / Biso Wilson estimate: 25.7 Å2 / Rmerge(I) obs: 0.05 / Rsym value: 0.052 |
Reflection shell | Resolution: 1.9→1.97 Å / Rmerge(I) obs: 0.13 / Num. unique all: 3285 / Rsym value: 0.143 / % possible all: 97.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2CU6 Resolution: 1.9→32.41 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 2440844.6 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 63.2211 Å2 / ksol: 0.39148 e/Å3 | ||||||||||||||||||||
Displacement parameters | Biso mean: 39.4 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.9→32.41 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.9→1.99 Å / Rfactor Rfree error: 0.025 / Total num. of bins used: 8
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Xplor file |
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