Course_June19 23_2023 - I2PC/scipion-courses GitHub Wiki
Flexibility
Model Building
Model Building Agenda
June 21st
- 14:30: General introduction to model building in cryo-EM (M)
- 15:15: Introduction to the data used in the practical session in homology modeling (details here) and de novo modeling (M)
- Review Kahoot students, teacher (R)
- Homology modeling workflow (r)
- Import map and sequence. Input data (R)
- 15:45: Map preprocessing I (M)
- 16:00: Coffee break
- 16:30: Map preprocessing II (M)
TAKE HOME MESSAGE: Try to improve the visual aspect of your map in terms of connectivty and/or details before tracing it.
- 17:00: Getting a first estimate of the model "de novo" (AlphaFold & ModelAngelo) and by sequence homology. (R-R-M)
TAKE HOME MESSAGE: Use the structure of an homologous sequence if you have it, otherwise try ModelAngelo if your map's resolution is good enough, alternatively try to predict the structure with AlphaFold.
- 18:30: End of the day
June 22nd
- 09:30: Structure analysis: Structure comparison (M)
TAKE HOME MESSAGE: Models are always wrong... but some are useful.
- 10:15: Rigid Fitting of Initial Models (R)
- 11:00: Coffee break
- 11:30: Flexible fitting (Coot) and Validation
- Coot Tutorial (R)
- 13:30: Lunch
- 14:30: Flexible fitting (Phenix & Refmac) and Validation (M-M)
- 15:30: Review Kahoot students, teacher (R)
- 16:00: Coffee break
- 16:30: Model building of human Hgb beta subunit (R-M)
- 18:30:End of the day
June 23rd
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09:30: Presentation of course questionnaire
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09:45: Building the model of the whole protein
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10:30: * Review Kahoot students, teacher (R)
- 11:00: Coffee break
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11:30: Submission of structures to EMDB. Understanding the validation report. Haemoglobin PDB full validation report (M)
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12:00: Structure analysis: chain contacts M
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12:30: Structural search
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13:00: Lunch and end of the day
Course Material
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Presentations
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Practical working sessions:
Data resources and IDs
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Human haemoglobin
- 3D map: emd_3488.map, available directory Data
- sequence:
- PDB reference: 1pbx (antartic fish: Pagothenia bernacchii)
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Human ion channel-like protein TACAN
- 3D map: emd-31482.map, available directory Data
- sequence:
- UniProt ID Q9BXJ8