+Open data
-Basic information
Entry | Database: PDB / ID: 4msk | ||||||
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Title | Co-crystal structure of tankyrase 1 with compound 34 | ||||||
Components | Tankyrase-1 | ||||||
Keywords | TRANSFERASE/TRANSFERASE INHIBITOR / tankyrase / PARP / inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex | ||||||
Function / homology | Function and homology information negative regulation of telomeric DNA binding / negative regulation of maintenance of mitotic sister chromatid cohesion, telomeric / regulation of telomere maintenance via telomerase / XAV939 stabilizes AXIN / NAD+ ADP-ribosyltransferase / protein localization to chromosome, telomeric region / negative regulation of telomere maintenance via telomere lengthening / protein auto-ADP-ribosylation / protein poly-ADP-ribosylation / pericentriolar material ...negative regulation of telomeric DNA binding / negative regulation of maintenance of mitotic sister chromatid cohesion, telomeric / regulation of telomere maintenance via telomerase / XAV939 stabilizes AXIN / NAD+ ADP-ribosyltransferase / protein localization to chromosome, telomeric region / negative regulation of telomere maintenance via telomere lengthening / protein auto-ADP-ribosylation / protein poly-ADP-ribosylation / pericentriolar material / mitotic spindle pole / : / NAD+-protein ADP-ribosyltransferase activity / positive regulation of telomere capping / NAD+-protein poly-ADP-ribosyltransferase activity / Transferases; Glycosyltransferases; Pentosyltransferases / mRNA transport / spindle assembly / nuclear pore / positive regulation of telomere maintenance via telomerase / nucleotidyltransferase activity / mitotic spindle organization / TCF dependent signaling in response to WNT / peptidyl-threonine phosphorylation / Degradation of AXIN / Wnt signaling pathway / Regulation of PTEN stability and activity / protein polyubiquitination / positive regulation of canonical Wnt signaling pathway / protein transport / histone binding / peptidyl-serine phosphorylation / nuclear membrane / chromosome, telomeric region / nuclear body / Ub-specific processing proteases / Golgi membrane / cell division / Golgi apparatus / positive regulation of transcription by RNA polymerase II / zinc ion binding / nucleoplasm / nucleus / cytosol / cytoplasm Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||
Authors | Huang, X. | ||||||
Citation | Journal: J.Med.Chem. / Year: 2013 Title: Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors. Authors: Hua, Z. / Bregman, H. / Buchanan, J.L. / Chakka, N. / Guzman-Perez, A. / Gunaydin, H. / Huang, X. / Gu, Y. / Berry, V. / Liu, J. / Teffera, Y. / Huang, L. / Egge, B. / Emkey, R. / Mullady, E. ...Authors: Hua, Z. / Bregman, H. / Buchanan, J.L. / Chakka, N. / Guzman-Perez, A. / Gunaydin, H. / Huang, X. / Gu, Y. / Berry, V. / Liu, J. / Teffera, Y. / Huang, L. / Egge, B. / Emkey, R. / Mullady, E.L. / Schneider, S. / Andrews, P.S. / Acquaviva, L. / Dovey, J. / Mishra, A. / Newcomb, J. / Saffran, D. / Serafino, R. / Strathdee, C.A. / Turci, S.M. / Stanton, M. / Wilson, C. / Dimauro, E.F. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4msk.cif.gz | 180.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4msk.ent.gz | 145.4 KB | Display | PDB format |
PDBx/mmJSON format | 4msk.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4msk_validation.pdf.gz | 1.2 MB | Display | wwPDB validaton report |
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Full document | 4msk_full_validation.pdf.gz | 1.2 MB | Display | |
Data in XML | 4msk_validation.xml.gz | 43.9 KB | Display | |
Data in CIF | 4msk_validation.cif.gz | 55 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ms/4msk ftp://data.pdbj.org/pub/pdb/validation_reports/ms/4msk | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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3 |
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4 |
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Unit cell |
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-Components
#1: Protein | Mass: 25041.332 Da / Num. of mol.: 4 / Fragment: UNP residues 1104-1314 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: TNKS, PARP5A, PARPL, TIN1, TINF1, TNKS1 / Production host: Escherichia coli (E. coli) / References: UniProt: O95271, NAD+ ADP-ribosyltransferase #2: Chemical | ChemComp-ZN / #3: Chemical | ChemComp-2C8 / #4: Water | ChemComp-HOH / | Has protein modification | Y | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.69 Å3/Da / Density % sol: 54.36 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 5 Details: 0.2/0.4 M Di Ammonium Tartrate, 12.5-25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.0 PH range: 5.0-6.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU FR-E SUPERBRIGHT |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 2.3→50 Å / Num. obs: 48456 / % possible obs: 99.6 % / Observed criterion σ(I): -3 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.3→50 Å / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.3→50 Å
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