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Yorodumi- PDB-1ilo: NMR structure of a thioredoxin, MtH895, from the archeon Methanob... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1ilo | ||||||
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Title | NMR structure of a thioredoxin, MtH895, from the archeon Methanobacterium thermoautotrophicum strain delta H. | ||||||
Components | conserved hypothetical protein MtH895 | ||||||
Keywords | STRUCTURAL GENOMICS / beta-alpha-beta-alpha-beta-beta-alpha motif / PSI / Protein Structure Initiative / Northeast Structural Genomics Consortium / NESG | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Methanothermobacter thermautotrophicus str. Delta H (archaea) | ||||||
Method | SOLUTION NMR / simulated annealing, molecular dynamics | ||||||
Authors | Bhattacharyya, S. / Habibi-Nazhad, B. / Slupsky, C.M. / Sykes, B.D. / Wishart, D.S. / Northeast Structural Genomics Consortium (NESG) | ||||||
Citation | Journal: Biochemistry / Year: 2002 Title: Identification of a novel archaebacterial thioredoxin: determination of function through structure. Authors: Bhattacharyya, S. / Habibi-Nazhad, B. / Amegbey, G. / Slupsky, C.M. / Yee, A. / Arrowsmith, C. / Wishart, D.S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ilo.cif.gz | 500.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ilo.ent.gz | 414.6 KB | Display | PDB format |
PDBx/mmJSON format | 1ilo.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1ilo_validation.pdf.gz | 354.4 KB | Display | wwPDB validaton report |
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Full document | 1ilo_full_validation.pdf.gz | 598.7 KB | Display | |
Data in XML | 1ilo_validation.xml.gz | 49.9 KB | Display | |
Data in CIF | 1ilo_validation.cif.gz | 72.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/il/1ilo ftp://data.pdbj.org/pub/pdb/validation_reports/il/1ilo | HTTPS FTP |
-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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NMR ensembles |
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-Components
#1: Protein | Mass: 8466.004 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Methanothermobacter thermautotrophicus str. Delta H (archaea) Species: Methanothermobacter thermautotrophicus / Strain: delta H / Gene: MtH895 / Plasmid: pET15b / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) References: UniProt: O26981, phosphoadenylyl-sulfate reductase (thioredoxin) |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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-Sample preparation
Details |
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Sample conditions | Ionic strength: 300 mM NaCl / pH: 7.0 / Pressure: ambient / Temperature: 298 K | |||||||||
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Varian UNITY / Manufacturer: Varian / Model: UNITY / Field strength: 500 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing, molecular dynamics / Software ordinal: 1 Details: the structures are based on a total of 1010 restraints, 862 are NOE-derived distance constraints, 102 dihedral angle restraints,46 distance restraints from hydrogen bonds. | ||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 21 |