july_8_2019

Course Material

• Scipion model building tutorial
• PPT presentation (model building) (marta)
• Haemoglobin Movie
• Coot Tutorial (roberto)
  • 3D map
  • atomic model
• EMDB submission link (marta)
• Human haemoglobin

  • 3D map

  • sequence:

    * alpha subunit: UniProt ID P69905 (Homologous sequences: P01958, P01948, P81023, P83134)
    
    * beta subunit: UniProt ID P68871 (Homologous sequences: P02062, P02057, G1U9Q8, P83133)
    

  • PDB reference: 1pbx

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1. Introduction to Model building marta, present model buildiong
2. Problem to solve: Hemoglobin marta, present tutorial data and aim

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SCIPION

1. Import Input data roberto

2. 3D Map preprocessing (sharpening, unit cell) roberto

3. Structure Prediction by Sequence Homology. Searching for Homologues (web site and chimera) roberto

4. Moving from sequence to atomic structure scenario (marta)

5. Merging 3D Maps and Atomic Structures: Rigid Fitting (marta)

6. extra emdb validation (marta)

7. extra tutorial coot (roberto)

8. Refinement: Flexible fitting (roberto), coot, refmac, realspcae refinement en cada paso subir a emdb

9. Structure validation and comparison(roberto)

10. Subunidad beta (work by yourself) (marta)

11. Building the unit cell (marta)

12. The whole macromolecule (marta) contancts (marta)

13. encuesta?

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