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Yorodumi- PDB-1bzf: NMR SOLUTION STRUCTURE AND DYNAMICS OF THE COMPLEX OF LACTOBACILL... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1bzf | ||||||
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Title | NMR SOLUTION STRUCTURE AND DYNAMICS OF THE COMPLEX OF LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE WITH THE NEW LIPOPHILIC ANTIFOLATE DRUG TRIMETREXATE, 22 STRUCTURES | ||||||
Components | DIHYDROFOLATE REDUCTASE | ||||||
Keywords | OXIDOREDUCTASE / INHIBITOR-ENZYME COMPLEX | ||||||
Function / homology | Function and homology information response to methotrexate / dihydrofolate metabolic process / dihydrofolate reductase / dihydrofolate reductase activity / folic acid metabolic process / tetrahydrofolate biosynthetic process / one-carbon metabolic process / NADP binding / response to antibiotic / cytosol Similarity search - Function | ||||||
Biological species | Lactobacillus casei (bacteria) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Polshakov, V.I. / Birdsall, B. / Frenkiel, T.A. / Gargaro, A.R. / Feeney, J. | ||||||
Citation | Journal: Protein Sci. / Year: 1999 Title: Structure and dynamics in solution of the complex of Lactobacillus casei dihydrofolate reductase with the new lipophilic antifolate drug trimetrexate. Authors: Polshakov, V.I. / Birdsall, B. / Frenkiel, T.A. / Gargaro, A.R. / Feeney, J. #1: Journal: J.Mol.Biol. / Year: 1998 Title: The Solution Structure of the Complex of Lactobacillus Casei Dihydrofolate Reductase with Methotrexate Authors: Gargaro, A.R. / Soteriou, A. / Frenkiel, T.A. / Bauer, C.J. / Birdsall, B. / Polshakov, V.I. / Barsukov, I.L. / Roberts, G.C. / Feeney, J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1bzf.cif.gz | 1.1 MB | Display | PDBx/mmCIF format |
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PDB format | pdb1bzf.ent.gz | 929.3 KB | Display | PDB format |
PDBx/mmJSON format | 1bzf.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bz/1bzf ftp://data.pdbj.org/pub/pdb/validation_reports/bz/1bzf | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 18331.594 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lactobacillus casei (bacteria) / Plasmid: PMT702 / Production host: Escherichia coli (E. coli) / Strain (production host): NF1 / References: UniProt: P00381, dihydrofolate reductase |
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#2: Chemical | ChemComp-TMQ / |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 90% H2O/10% D2O, 100% D2O |
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Sample conditions | Ionic strength: 550 mM / pH: 6.5 / Pressure: 1 atm / Temperature: 308 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Varian UNITY / Manufacturer: Varian / Model: UNITY / Field strength: 600 MHz |
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-Processing
Software |
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NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | |||||||||
NMR ensemble | Conformer selection criteria: NO NOE VIOLATION MORE THAN 0.1 ANGSTROM; NO DIHEDRAL ANGLE VIOLATION MORE THAN 3 DEGREES Conformers calculated total number: 22 / Conformers submitted total number: 22 |