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Yorodumi- PDB-3dfr: CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DI... -
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-Basic information
Entry | Database: PDB / ID: 3dfr | |||||||||
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Title | CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE | |||||||||
Components | DIHYDROFOLATE REDUCTASE | |||||||||
Keywords | OXIDOREDUCTASE / OXIDO-REDUCTASE | |||||||||
Function / homology | Function and homology information response to methotrexate / glycine biosynthetic process / dihydrofolate reductase / dihydrofolate reductase activity / tetrahydrofolate biosynthetic process / one-carbon metabolic process / NADP binding / response to antibiotic Similarity search - Function | |||||||||
Biological species | Lactobacillus casei (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / Resolution: 1.7 Å | |||||||||
Authors | Filman, D.J. / Matthews, D.A. / Bolin, J.T. / Kraut, J. | |||||||||
Citation | Journal: J.Biol.Chem. / Year: 1982 Title: Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate. Authors: Bolin, J.T. / Filman, D.J. / Matthews, D.A. / Hamlin, R.C. / Kraut, J. #1: Journal: J.Biol.Chem. / Year: 1982 Title: Crystal Structures of Escherichia Coli and Lactobacillus Casei Dihydrofolate Reductase Refined at 1.7 Angstroms Resolution. II. Environment of Bound Nadph and Implications for Catalysis Authors: Filman, D.J. / Bolin, J.T. / Matthews, D.A. / Kraut, J. #2: Journal: J.Biol.Chem. / Year: 1982 Title: Crystal Structure of Avian Dihydrofolate Reductase Containing Phenyltriazine and Nadph Authors: Volz, K.W. / Matthews, D.A. / Alden, R.A. / Freer, S.T. / Hansch, C. / Kaufman, B.T. / Kraut, J. #3: Journal: Biochemistry / Year: 1979 Title: Interpretation of Nuclear Magnetic Resonance Spectra for Lactobacillus Casei Dihydrofolate Reductase Based on the X-Ray Structure of the Enzyme-Methotrexate-Nadph Complex Authors: Matthews, D.A. #4: Journal: J.Biol.Chem. / Year: 1979 Title: Dihydrofolate Reductase from Lactobacillus Casei. Stereochemistry of Nadph Binding Authors: Matthews, D.A. / Alden, R.A. / Freer, S.T. / Xuong, N.-H. / Kraut, J. #5: Journal: J.Biol.Chem. / Year: 1978 Title: Dihydrofolate Reductase from Lactobacillus Casei. X-Ray Structure of the Enzyme-Methotrexate-Nadph Complex Authors: Matthews, D.A. / Alden, R.A. / Bolin, J.T. / Filman, D.J. / Freer, S.T. / Hamlin, R. / Hol, W.G.J. / Kisliuk, R.L. / Pastore, E.J. / Plante, L.T. / Xuong, N.-H. / Kraut, J. #6: Journal: Science / Year: 1977 Title: Dihydrofolate Reductase. X-Ray Structure of the Binary Complex with Methotrexate Authors: Matthews, D.A. / Alden, R.A. / Bolin, J.T. / Freer, S.T. / Hamlin, R. / Xuong, N. / Kraut, J. / Poe, M. / Williams, M. / Hoogsteen, K. #7: Journal: J.Biol.Chem. / Year: 1970 Title: Properties of Thymidylate Synthetase from Dichloromethotrexate-Resistant Lactobacillus Casei Authors: Crusberg, T.C. / Leary, R. / Kisliuk, R.L. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3dfr.cif.gz | 61.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3dfr.ent.gz | 38.9 KB | Display | PDB format |
PDBx/mmJSON format | 3dfr.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/df/3dfr ftp://data.pdbj.org/pub/pdb/validation_reports/df/3dfr | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Atom site foot note | 1: SEE REMARK 6. / 2: SEE REMARK 7. |
-Components
#1: Protein | Mass: 18345.666 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Lactobacillus casei (bacteria) / References: UniProt: P00381, dihydrofolate reductase |
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#2: Chemical | ChemComp-NDP / |
#3: Chemical | ChemComp-MTX / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 3.79 Å3/Da / Density % sol: 67.57 % | |||||||||||||||
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Crystal grow | *PLUS pH: 7.4 / Method: unknown | |||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Reflection | *PLUS Highest resolution: 1.7 Å / Num. obs: 24380 / % possible obs: 92 % / Rmerge(I) obs: 0.06 |
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-Processing
Refinement | Rfactor Rwork: 0.152 / Highest resolution: 1.7 Å | ||||||||||||
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Refinement step | Cycle: LAST / Highest resolution: 1.7 Å
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Refinement | *PLUS Num. reflection obs: 24380 | ||||||||||||
Solvent computation | *PLUS | ||||||||||||
Displacement parameters | *PLUS |