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Yorodumi- PDB-1ae4: ALDEHYDE REDUCTASE COMPLEXED WITH COFACTOR AND INHIBITOR, ALPHA C... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1ae4 | ||||||
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Title | ALDEHYDE REDUCTASE COMPLEXED WITH COFACTOR AND INHIBITOR, ALPHA CARBON ATOMS ONLY | ||||||
Components | ALDEHYDE REDUCTASE | ||||||
Keywords | OXIDOREDUCTASE / ALDO-KETO REDUCTASE / TIM-BARREL | ||||||
Function / homology | Function and homology information glucuronate reductase / glucuronolactone reductase / glucuronolactone reductase activity / S-nitrosoglutathione reductase (NADPH) activity / Oxidoreductases; Acting on NADH or NADPH / alcohol dehydrogenase (NADP+) / D-glucuronate catabolic process / methylglyoxal reductase (NADPH) (acetol producing) activity / aldehyde catabolic process / cellular detoxification of aldehyde ...glucuronate reductase / glucuronolactone reductase / glucuronolactone reductase activity / S-nitrosoglutathione reductase (NADPH) activity / Oxidoreductases; Acting on NADH or NADPH / alcohol dehydrogenase (NADP+) / D-glucuronate catabolic process / methylglyoxal reductase (NADPH) (acetol producing) activity / aldehyde catabolic process / cellular detoxification of aldehyde / L-glucuronate reductase activity / glycerol dehydrogenase (NADP+) activity / D/L-glyceraldehyde reductase / allyl-alcohol dehydrogenase / allyl-alcohol dehydrogenase activity / L-ascorbic acid biosynthetic process / aldose reductase (NADPH) activity / lipid metabolic process / apical plasma membrane / cytosol Similarity search - Function | ||||||
Biological species | Sus scrofa (pig) | ||||||
Method | X-RAY DIFFRACTION / DIFFERENCE-FOURIER / Resolution: 2.4 Å | ||||||
Authors | El-Kabbani, O. | ||||||
Citation | Journal: Proteins / Year: 1997 Title: Studies on the inhibitor-binding site of porcine aldehyde reductase: crystal structure of the holoenzyme-inhibitor ternary complex. Authors: el-Kabbani, O. / Carper, D.A. / McGowan, M.H. / Devedjiev, Y. / Rees-Milton, K.J. / Flynn, T.G. #1: Journal: Nat.Struct.Biol. / Year: 1995 Title: Structure of Porcine Aldehyde Reductase Holoenzyme Authors: El-Kabbani, O. / Judge, K. / Ginell, S.L. / Myles, D.A. / Delucas, L.J. / Flynn, T.G. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ae4.cif.gz | 25.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ae4.ent.gz | 12.6 KB | Display | PDB format |
PDBx/mmJSON format | 1ae4.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1ae4_validation.pdf.gz | 469.1 KB | Display | wwPDB validaton report |
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Full document | 1ae4_full_validation.pdf.gz | 474.2 KB | Display | |
Data in XML | 1ae4_validation.xml.gz | 2.5 KB | Display | |
Data in CIF | 1ae4_validation.cif.gz | 5.7 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ae/1ae4 ftp://data.pdbj.org/pub/pdb/validation_reports/ae/1ae4 | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 36583.883 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Sus scrofa (pig) / Organ: KIDNEY / Tissue: MEDULLA, CORTEX / References: UniProt: P50578, alcohol dehydrogenase (NADP+) |
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#2: Chemical | ChemComp-NAP / |
#3: Chemical | ChemComp-TOL / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.24 Å3/Da / Density % sol: 43 % Description: THE POSITION OF BOUND INHIBITOR WAS DETERMINED FROM A DIFFERENCE ELECTRON DENSITY MAP. | |||||||||||||||||||||||||
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Crystal grow | pH: 8.9 / Details: BUFFERED AMMONIUM SULFATE SOLUTION, PH 8.9 | |||||||||||||||||||||||||
Crystal | *PLUS Density % sol: 45 % | |||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Wavelength: 1.5418 |
Detector | Type: SIEMENS / Detector: AREA DETECTOR / Date: Aug 1, 1996 / Details: COLLIMATOR |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→15 Å / Num. obs: 13319 / % possible obs: 93 % / Observed criterion σ(I): 0 / Redundancy: 6 % / Rmerge(I) obs: 0.109 / Net I/σ(I): 21.2 |
Reflection | *PLUS Num. all: 14296 / Num. measured all: 91887 |
-Processing
Software |
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Refinement | Method to determine structure: DIFFERENCE-FOURIER Starting model: PORCINE ALDEHYDE REDUCTASE IN COMPLEX WITH COENZYME Resolution: 2.4→8 Å / σ(F): 2
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Displacement parameters | Biso mean: 20.8 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati coordinate error obs: 0.25 Å / Luzzati d res low obs: 8 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.4→8 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.4→2.51 Å / Total num. of bins used: 8
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