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- PDB-1ftq: STRUCTURES OF GLYCOGEN PHOSPHORYLASE-INHIBITOR COMPLEXES AND THE ... -
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Basic information
Entry | Database: PDB / ID: 1ftq | ||||||
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Title | STRUCTURES OF GLYCOGEN PHOSPHORYLASE-INHIBITOR COMPLEXES AND THE IMPLICATIONS FOR STRUCTURE-BASED DRUG DESIGN | ||||||
![]() | GLYCOGEN PHOSPHORYLASE![]() | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Watson, K.A. / Tsitsanou, K.E. / Gregoriou, M. / Zographos, S.E. / Skamnaki, V.T. / Oikonomakos, N.G. / Fleet, G.W. / Johnson, L.N. | ||||||
![]() | ![]() Title: Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase. Authors: Watson, K.A. / Chrysina, E.D. / Tsitsanou, K.E. / Zographos, S.E. / Archontis, G. / Fleet, G.W. / Oikonomakos, N.G. #1: ![]() Title: The Structure of a Glycogen Phosphorylase Glucopyranose Spirohydantoin Complex at 1.8 A Resolution and 100K: The Role of the Water Structure and its Contribution to Binding Authors: Gregoriou, M. / Noble, M.E. / Watson, K.A. / Garman, E.F. / Krulle, T.M. / de la Fuente, C. / Fleet, G.W. / Oikonomakos, N.G. / Johnson, L.N. #2: ![]() Title: Potent Inhibition of Glycogen Phosphorylase by a Spirohydantoin of Glucopyranose: First Pyranose Analogues of Hydantocidin Authors: Bichard, C.J.F. / Mitchell, E.P. / Wormald, M.R. / Watson, K.A. / Johnson, L.N. / Zographos, S.E. / Koutra, D.D. / Oikonomakos, N.G. / Fleet, G.W.J. #3: ![]() Title: N-Acetyl-Beta-D-Glucopyranosylamine: A Potent T-State Inhibitor of Glycogen Phosphorylase. A Comparison with Alpha-D-Glucose Authors: Oikonomakos, N.G. / Kontou, M. / Zographos, S.E. / Watson, K.A. / Johnson, L.N. / Bichard, C.J. / Fleet, G.W. / Acharya, K.R. #4: ![]() Title: Design of Inhibitors of Glycogen Phosphorylase: A Study of Alpha- and Beta-C-Glucosides and 1-Thio-Beta-D-Glucose Compounds Authors: Watson, K.A. / Mitchell, E.P. / Johnson, L.N. / Son, J.C. / Bichard, C.J. / Orchard, M.G. / Fleet, G.W. / Oikonomakos, N.G. / Leonidas, D.D. / Kontou, M. / Papageorgiou, A.C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 186.3 KB | Display | ![]() |
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PDB format | ![]() | 145.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1fs4C ![]() 1ftwC ![]() 1ftyC ![]() 1fu4C ![]() 1fu7C ![]() 1fu8C ![]() 2prjS C: citing same article ( S: Starting model for refinement |
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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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Components
#1: Protein | ![]() Mass: 97291.203 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() ![]() ![]() ![]() |
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#2: Sugar | ChemComp-GL2 / ( |
#3: Chemical | ChemComp-PLP / ![]() |
#4: Chemical | ChemComp-IMP / ![]() |
#5: Water | ChemComp-HOH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.47 Å3/Da / Density % sol: 48 % |
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Crystal grow![]() | Temperature: 298 K / Method: small tubes / pH: 6.7 Details: 10 mM BES, 0.1 MM EDTA, 1 mM IMP, 1 mM spermine, pH 6.70, SMALL TUBES, temperature 298K |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Type: OTHER / Wavelength: 1.5418 |
Detector | Type: NICOLET IPC / Detector: AREA DETECTOR / Date: May 12, 1995 |
Radiation | Monochromator: NI FILTER / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.36→13.9 Å / Num. obs: 28981 / % possible obs: 78 % / Rmerge(I) obs: 0.071 |
Reflection shell | Resolution: 2.35→2.45 Å |
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Processing
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Refinement | Method to determine structure![]() Starting model: 2PRJ Resolution: 2.35→13.9 Å / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.35→13.9 Å
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Refine LS restraints |
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