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- PDB-1adc: CRYSTALLOGRAPHIC STUDIES OF ISOSTERIC NAD ANALOGUES BOUND TO ALCO... -
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Basic information
Entry | Database: PDB / ID: 1adc | ||||||
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Title | CRYSTALLOGRAPHIC STUDIES OF ISOSTERIC NAD ANALOGUES BOUND TO ALCOHOL DEHYDROGENASE: SPECIFICITY AND SUBSTRATE BINDING IN TWO TERNARY COMPLEXES | ||||||
![]() | ALCOHOL DEHYDROGENASE | ||||||
![]() | OXIDOREDUCTASE (NAD(A)-CHOH(D)) | ||||||
Function / homology | ![]() : / all-trans-retinol dehydrogenase (NAD+) activity / alcohol dehydrogenase / retinol metabolic process / retinoic acid metabolic process / zinc ion binding / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Li, H. / Hallows, W.A. / Punzi, J.S. / Pankiewicz, K.W. / Watanabe, K.A. / Goldstein, B.M. | ||||||
![]() | ![]() Title: Crystallographic studies of isosteric NAD analogues bound to alcohol dehydrogenase: specificity and substrate binding in two ternary complexes. Authors: Li, H. / Hallows, W.H. / Punzi, J.S. / Pankiewicz, K.W. / Watanabe, K.A. / Goldstein, B.M. #1: ![]() Title: Interdomain Motion in Liver Alcohol Dehydrogenase. Structural and Energetic Analysis of the Hinge Bending Mode Authors: Colonna-Cesari, F. / Perahia, D. / Karplus, M. / Eklund, H. / Branden, C.I. / Tapia, O. #2: ![]() Title: Crystallographic Investigations of Nicotinamide Adenine Dinucleotide Binding to Horse Liver Alcohol Dehydrogenase Authors: Eklund, H. / Samama, J.-P. / Jones, T.A. #3: ![]() Title: Crystal Structures of the Active Site in Specifically Metal-Depleted and Cobalt-Substituted Horse Liver Alcohol Dehydrogenase Derivatives Authors: Schneider, G. / Eklund, H. / Cedergren-Zeppezauer, E. / Zeppezauer, M. #4: ![]() Title: Three-Dimensional Structure of Isonicotinimidylated Liver Alcohol Dehydrogenase Authors: Plapp, B.V. / Eklund, H. / Jones, T.A. / Branden, C.-I. #5: ![]() Title: Crystal-Structure Determination of Reduced Nicotinamide Adenine Dinucleotide Complex with Horse Liver Alcohol Dehydrogenase Maintained in its Apo Conformation by Zinc-Bound Imidazole Authors: Cedergren-Zeppezauer, E. #6: ![]() Title: Binding of Substrate in a Ternary Complex of Horse Liver Alcohol Dehydrogenase Authors: Eklund, H. / Plapp, B.V. / Samama, J.-P. / Branden, C.-I. #7: ![]() Title: Crystal Structure Determinations of Coenzyme Analogue and Substrate Complexes of Liver Alcohol Dehydrogenase. Binding of 1,4,5,6-Tetrahydronicotinamide Adenine Dinucleotide and Trans-4-(N,N- ...Title: Crystal Structure Determinations of Coenzyme Analogue and Substrate Complexes of Liver Alcohol Dehydrogenase. Binding of 1,4,5,6-Tetrahydronicotinamide Adenine Dinucleotide and Trans-4-(N,N-Dimethylamino)Cinnamaldehyde to the Enzyme Authors: Cedergren-Zeppezauer, E. / Samama, J.-P. / Eklund, H. #8: ![]() Title: Pyrazole Binding in Crystalline Binary and Ternary Complexes with Liver Alcohol Dehydrogenase Authors: Eklund, H. / Samama, J.-P. / Wallen, L. #9: ![]() Title: 5-Methylnicotinamide-Adenine Dinucleotide. Kinetic Investigation with Major and Minor Isoenzymes of Liver Alcohol Dehydrogenase and Structural Determination of its Binary Complex with Alcohol Dehydrogenase Authors: Samama, J.-P. / Wrixon, A.D. / Biellmann, J.-F. #10: ![]() Title: Structural Differences between Apo-and Holoenzyme of Horse Liver Alcohol Dehydrogenase Authors: Eklund, H. / Branden, C.-I. #11: ![]() Title: X-Ray Studies of the Binding of Cibacron Blue F3Ga to Liver Alcohol Dehydrogenase Authors: Biellmann, J.-F. / Samama, J.-P. / Branden, C.I. / Eklund, H. #12: ![]() Title: Crystallography of Liver Alcohol Dehydrogenase Complexed with Substrates Authors: Plapp, B.V. / Eklund, H. / Branden, C.-I. #13: ![]() Title: Crystallization of Liver Alcohol Dehydrogenase Activated by the Modification of Amino Groups Authors: Plapp, B.V. / Zeppezauer, E. / Branden, C.-I. #14: ![]() Title: Subunit Conformation of Yeast Alcohol Dehydrogenase Authors: Jornvall, H. / Eklund, H. / Branden, C.-I. #15: ![]() Title: The Crystal Structure of Complexes between Horse Liver Alcohol Dehydrogenase and the Coenzyme Analogues 3-Iodopyridine-Adenine Dinucleotide and Pyridine-Adenine Dinucleotide Authors: Samama, J.-P. / Zeppezauer, E. / Biellmann, J.-F. / Branden, C.-I. #16: ![]() Title: X-Ray Investigation of the Binding of 1,10-Phenanthroline and Imidazole to Horse-Liver Alcohol Dehydrogenase Authors: Boiwe, T. / Branden, C.-I. #17: ![]() Title: Three-Dimensional Structure of Horse Liver Alcohol Dehydrogenase at 2.4 Angstroms Resolution Authors: Eklund, H. / Nordstrom, B. / Zeppezauer, E. / Soderlund, G. / Ohlsson, I. / Boiwe, T. / Soderberg, B.-O. / Tapia, O. / Branden, C.-I. / Akeson, A. #18: ![]() Title: Structural Comparisons of Mammalian, Yeast and Bacillar Alcohol Dehydrogenases Authors: Eklund, H. / Branden, C.-I. / Jornvall, H. #19: ![]() Year: 1975 Title: The Binding of Nucleotides to Horse Liver Alcohol Dehydrogenase Authors: Nordstrom, B. / Branden, C.-I. #20: ![]() Title: Alcohol Dehydrogenases Authors: Branden, C.-I. / Jornvall, H. / Eklund, H. / Furugren, B. #21: ![]() Title: The Conformation of Adenosine Diphosphoribose and 8-Bromoadenosine Diphosphoribose When Bound to Liver Alcohol Dehydrogenase Authors: Abdallah, M.A. / Biellmann, J.-F. / Nordstrom, B. / Branden, C.-I. #22: ![]() Title: The Structure of Horse Liver Alcohol Dehydrogenase Authors: Eklund, H. / Nordstrom, B. / Zeppezauer, E. / Soderlund, G. / Ohlsson, I. / Boiwe, T. / Branden, C.-I. #23: ![]() Title: Structural and Functional Similarities within the Coenzyme Binding Domains of Dehydrogenases Authors: Ohlsson, I. / Nordstrom, B. / Branden, C.-I. #24: ![]() Title: Binding of Salicylate in the Adenosine-Binding Pocket of Dehydrogenases Authors: Einarsson, R. / Eklund, H. / Zeppezauer, E. / Boiwe, T. / Branden, C.-I. #25: ![]() Title: Structure of Liver Alcohol Dehydrogenase at 2.9-Angstrom Resolution Authors: Branden, C.-I. / Eklund, H. / Nordstrom, B. / Boiwe, T. / Soderlund, G. / Zeppezauer, E. / Ohlsson, I. / Akeson, A. #27: ![]() Title: Structure of Horse Liver Alcohol Dehydrogenase. I. Structural Symmetry and Conformational Changes Authors: Branden, C.-I. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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PDBx/mmCIF format | ![]() | 181.4 KB | Display | ![]() |
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PDB format | ![]() | 143.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Atom site foot note | 1: CIS PROLINE - PRO A 62 / 2: CIS PROLINE - PRO B 62 |
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Components
#1: Protein | Mass: 39853.273 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-ZN / #3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.47 Å3/Da / Density % sol: 50.17 % | ||||||||||||||||||||
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Crystal | *PLUS Density % sol: 50.9 % | ||||||||||||||||||||
Crystal grow | *PLUS Temperature: 5 ℃ / Method: vapor diffusion, hanging drop / PH range low: 8.5 / PH range high: 8.3 | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 2.7→35 Å / Num. obs: 19251 / % possible obs: 92 % / Observed criterion σ(I): 1.7 |
Reflection | *PLUS Num. measured all: 36058 / Rmerge(I) obs: 0.127 |
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Processing
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Refinement | Rfactor Rwork: 0.17 / Rfactor obs: 0.17 / Highest resolution: 2.7 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Highest resolution: 2.7 Å
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Refine LS restraints |
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Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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