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- PDB-1b16: ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS TERNARY COMPLE... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1b16 | ||||||
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Title | ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS TERNARY COMPLEX WITH NAD-3-PENTANONE | ||||||
![]() | PROTEIN (ALCOHOL DEHYDROGENASE) | ||||||
![]() | OXIDOREDUCTASE / DETOXIFICATION / METABOLISM / ALCOHOL DEHYDROGENASE / DROSOPHILA LEBANONENSIS / SHORT-CHAIN DEHYDROGENASES/REDUCTASES / TERNARY COMPLEX / NAD-3- PENTANONE ADDUCT | ||||||
Function / homology | ![]() alcohol metabolic process / alcohol dehydrogenase (NAD+) activity / alcohol dehydrogenase / identical protein binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Benach, J. / Atrian, S. / Gonzalez-Duarte, R. / Ladenstein, R. | ||||||
![]() | ![]() Title: The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography. Authors: Benach, J. / Atrian, S. / Gonzalez-Duarte, R. / Ladenstein, R. #1: ![]() Title: The Refined Crystal Structure of Drosophila Lebanonensis Alcohol Dehydrogenase at 1.9 A Resolution Authors: Benach, J. / Atrian, S. / Gonzalez-Duarte, R. / Ladenstein, R. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 123.6 KB | Display | ![]() |
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PDB format | ![]() | 94.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 529.8 KB | Display | ![]() |
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Full document | ![]() | 538.3 KB | Display | |
Data in XML | ![]() | 13.5 KB | Display | |
Data in CIF | ![]() | 21.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1b14C ![]() 1b15C ![]() 1b2lC ![]() 1a4uS S: Starting model for refinement C: citing same article ( |
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Similar 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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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.983274, -0.169734, 0.066045), Vector: |
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Components
#1: Protein | Mass: 27823.973 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Details: NAD-3-PENTANONE / Source: (natural) ![]() #2: Chemical | #3: Water | ChemComp-HOH / | Nonpolymer details | NAD-3-PENTANONE ADDUCT | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.15 Å3/Da / Density % sol: 45.5 % | ||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 7.5 Details: PROTEIN WAS CRYSTALLIZED FROM 28% PEG 2000, 0.2 M CACL2, 0.1 M TRIS-HCL, PH= 7.5, 1MM NAD+, 1% 3-PENTANONE, 4 C. | ||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 277 K / pH: 8.6 / Method: vapor diffusion, sitting drop | ||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Nov 15, 1997 / Details: MIRROR |
Radiation | Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9511 Å / Relative weight: 1 |
Reflection | Resolution: 1.32→15 Å / Num. obs: 103695 / % possible obs: 94 % / Observed criterion σ(I): -3 / Redundancy: 3 % / Biso Wilson estimate: 13.2 Å2 / Rmerge(I) obs: 0.06 / Net I/σ(I): 3 |
Reflection shell | Resolution: 1.32→1.43 Å / Redundancy: 3 % / Rmerge(I) obs: 0.4 / Mean I/σ(I) obs: 3 / % possible all: 94 |
Reflection | *PLUS Num. measured all: 262892 |
Reflection shell | *PLUS % possible obs: 94 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1A4U Resolution: 1.4→8 Å / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.15 / ESU R Free: 0.17
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Displacement parameters | Biso mean: 13.2 Å2 | ||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.4→8 Å
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Software | *PLUS Name: REFMAC / Classification: refinement | ||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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