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Open data
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Basic information
Entry | Database: PDB / ID: 1ai9 | ||||||
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Title | CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE | ||||||
![]() | DIHYDROFOLATE REDUCTASE | ||||||
![]() | OXIDOREDUCTASE / ANTIFUNGAL TARGET / REDUCTASE | ||||||
Function / homology | ![]() dihydrofolate metabolic process / glycine biosynthetic process / dihydrofolate reductase / dihydrofolate reductase activity / folic acid metabolic process / tetrahydrofolate biosynthetic process / one-carbon metabolic process / NADP binding / mitochondrion / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Whitlow, M. / Howard, A.J. / Stewart, D. | ||||||
![]() | ![]() Title: X-ray crystallographic studies of Candida albicans dihydrofolate reductase. High resolution structures of the holoenzyme and an inhibited ternary complex. Authors: Whitlow, M. / Howard, A.J. / Stewart, D. / Hardman, K.D. / Kuyper, L.F. / Baccanari, D.P. / Fling, M.E. / Tansik, R.L. #1: ![]() Title: Characterization of Candida Albicans Dihydrofolate Reductase Authors: Baccanari, D.P. / Tansik, R.L. / Joyner, S.S. / Fling, M.E. / Smith, P.L. / Freisheim, J.H. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 96.2 KB | Display | ![]() |
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PDB format | ![]() | 74.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 549.9 KB | Display | ![]() |
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Full document | ![]() | 576 KB | Display | |
Data in XML | ![]() | 13.4 KB | Display | |
Data in CIF | ![]() | 19.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
#1: Protein | Mass: 22194.527 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: ACTS AS A MONOMER WITH NADPH / Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.27 Å3/Da / Density % sol: 43 % | |||||||||||||||
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Crystal grow | pH: 7.5 Details: 17-20 MG/ML C. ALBICANS DHFR IN 20 MM KMES, 1 MM DTT, 0.1 MM EDTA, 20% GLYERCOL, PH 7.5 WAS MIXED WITH AN EQUAL PART OF 26 - 34% PEG-3350, THE RESERVOIR SOLUTION. | |||||||||||||||
Crystal | *PLUS | |||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, hanging drop | |||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 295 K |
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Diffraction source | Source: ![]() |
Detector | Type: SIEMENS / Detector: AREA DETECTOR / Date: May 1, 1987 / Details: MONOCHROMATOR |
Radiation | Monochromator: HUBER MONOCHROMATOR / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Highest resolution: 1.83 Å / Num. obs: 31520 / % possible obs: 90.3 % / Observed criterion σ(I): 2 / Redundancy: 4.46 % / Rsym value: 0.0664 / Net I/σ(I): 16.9 |
Reflection shell | Resolution: 1.83→1.95 Å / Redundancy: 2.26 % / Mean I/σ(I) obs: 3.11 / Rsym value: 0.3535 / % possible all: 83.5 |
Reflection | *PLUS Num. measured all: 140620 / Rmerge(I) obs: 0.0704 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: MURINE DHFR Resolution: 1.85→10 Å / σ(F): 2
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Refinement step | Cycle: LAST / Resolution: 1.85→10 Å
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Refine LS restraints |
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Software | *PLUS Name: PROFFT / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.199 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |