UCSF ChimeraX
UCSF ChimeraX
  • Видео 16
  • Просмотров 216 450
Color a protein by C-alpha RMSD using ChimeraX
We show how to color the residues of two aligned proteins according to how far apart their corresponding backbone C-alpha atoms are using ChimeraX version 1.6. The example shown compares an archaeal crenactin protein to a rabbit actin.
Просмотров: 8 953

Видео

How to predict a large protein structure with AlphaFold using ChimeraX
Просмотров 12 тыс.Год назад
To predict a large protein complex (more than 1200 amino acids) with AlphaFold using ChimeraX you need to use an A100 graphics processor (GPU) on Google Colab. This video shows you how to choose the A100 GPU with 40 GB of memory. You will only be able to use the A100 GPU if you pay Google for "compute units" on Google Colab.
Color protein conformations using ChimeraX
Просмотров 4 тыс.Год назад
I show how to color a homo-octamer protein complex to highlight where the 8 proteins differ in shape using ChimeraX 1.5.
Faster AlphaFold protein structure predictions using ColabFold
Просмотров 30 тыс.2 года назад
ChimeraX now uses an optimized version of AlphaFold called ColabFold to prediction protein structures that takes tens of minutes instead of hours. This video shows how to predict structures with ColabFold in ChimeraX.
Evaluating AlphaFold protein-protein binding with ChimeraX
Просмотров 27 тыс.2 года назад
We show how to display AlphaFold predicted aligned error for residues at the binding interface between two proteins, encapsulin and ferritin, using ChimeraX. Requires a ChimeraX daily build from June 9, 2022 or newer, or ChimeraX 1.5, not in ChimeraX 1.4. More details www.rbvi.ucsf.edu/chimerax/data/alphafold-contacts-jun2022/afcontacts.html
How to show AlphaFold error estimates with ChimeraX
Просмотров 10 тыс.2 года назад
We take a look at how to show AlphaFold predicted aligned error (PAE) plots to see if domains are packed correctly, and also show how to color by AlphaFold per-residue confidence scores. The PAE plots are in ChimeraX versions from April 2022 (not in version 1.3). More details here www.rbvi.ucsf.edu/chimerax/data/pae-apr2022/pae.html
ChimeraX virtual reality demonstration modeling encapsulin and ferritin proteins
Просмотров 1,9 тыс.2 года назад
Demonstration of ChimeraX virtual reality making an atomic model of encapsulin and ferritin proteins that store nano-crystals of iron in bacteria. Presented to the NIH Virtual and Augmented Reality Scientific Interest Group on February 17, 2022 by Tom Goddard. Outline www.rbvi.ucsf.edu/chimerax/data/vr-nih-feb2022/ferritin.html
Running AlphaFold to Predict Protein Complexes from ChimeraX
Просмотров 38 тыс.3 года назад
How to predict the structure of a photoreaction center complex of 3 proteins from ChimeraX using AlphaFold-Multimer. Requires a ChimeraX daily build newer than December 2, 2021 or version 1.4. It is not in ChimeraX version 1.3. Web page describing steps www.rbvi.ucsf.edu/chimerax/data/alphafold-dec2021/af_multimer.html
Run AlphaFold in ChimeraX for cryoEM model building
Просмотров 6 тыс.3 года назад
We show how to run AlphaFold from ChimeraX to predict a protein structure from its sequence to produce an initial model for building into a 3 Angstrom resolution cryoEM map. We look at a protein that transports omega-3 fatty acids across the blood-brain barrier, EMDB 23883. Requires ChimeraX 1.3 or a daily build newer than September 2021.
Fit an AlphaFold database model to a cryoEM map
Просмотров 8 тыс.3 года назад
We show how to start building an atomic model into a cryoEM map using an atomic structure from the AlphaFold database. We fit the atomic model into the map and adjust the position of one of its domains. The map is EMDB 30495 and is of a human dimer originally thought to be an mechano-sensitive ion channel, although the Nature publication speculates it is instead involved in lipid metabolism.
Assembling AlphaFold protein models with ChimeraX
Просмотров 4,8 тыс.3 года назад
We combine two AlphaFold protein structure predictions into an assembly using ChimeraX and find that its conformation does not match the experimental structure because the proteins are flexible. Requires September 2021 ChimeraX of newer.
Predict a protein structure using AlphaFold within ChimeraX
Просмотров 25 тыс.3 года назад
We run AlphaFold to predict the structure of the protein avidin (from chicken). We start the computation using ChimeraX (Sept 2021 version) which runs it on Google Colab servers.
Compare AlphaFold and Experimental Protein Structures in ChimeraX
Просмотров 8 тыс.3 года назад
How to fetch a predicted protein structure from the AlphaFold database and compare it to an experimentally determined structure using the ChimeraX visualization software.
Fitting an atomic model in an electron microscopy map with ChimeraX
Просмотров 12 тыс.3 года назад
I show how to make an atomic model of a nanocage by fitting an x-ray structure into an electron microscopy map and applying symmetry using ChimeraX.
How to color a protein by electrostatic potential with ChimeraX
Просмотров 12 тыс.3 года назад
Shows three ways to color nuclear export protein CRM1 by electrostatic potential using ChimeraX. More details at www.rbvi.ucsf.edu/chimerax/data/electrostatics-apr2021/crm1.html
Color a cryoEM Map by Local Resolution using ChimeraX
Просмотров 9 тыс.3 года назад
Color a cryoEM Map by Local Resolution using ChimeraX

Комментарии

  • @visnuc
    @visnuc 23 дня назад

    Thank you! Could you please let me know how to check the interaction between several proteins simultaneously... i.e., show all the interactions within let's say 5A in a multimeric protein complex?

  • @spider4957
    @spider4957 Месяц назад

    Alpha fold gives me 5 models. Which model should I count as the best model for my query protein?

  • @joeltorres2158
    @joeltorres2158 2 месяца назад

    Thanks! Please, and how to save the new atomic model(?) with the map to elaborate the report, please if you have a template report, I will be so grateful with you.

  • @SaukaKumagae
    @SaukaKumagae 3 месяца назад

    Thank you for showing where the files were downloaded!

  • @Paul-Wonder-Universe
    @Paul-Wonder-Universe 3 месяца назад

  • @Paul-Wonder-Universe
    @Paul-Wonder-Universe 3 месяца назад

  • @Paul-Wonder-Universe
    @Paul-Wonder-Universe 3 месяца назад

    😊

  • @vijayreddy2153
    @vijayreddy2153 4 месяца назад

    Thanks very much Tom for the tutorial, very useful indeed, much appreciated.

  • @aparnakb1169
    @aparnakb1169 4 месяца назад

    Good video. But I have around 100 different protein sequences, so how to automate this prediction? Can we paste all the 100 sequences in one single prediction by a separator? Can you suggest me a solution to do for multiple sequences?

  • @wesswenson4415
    @wesswenson4415 5 месяцев назад

    Do you need to add a space or new line between the commas?

  • @ryhisner
    @ryhisner 5 месяцев назад

    I tried running a protein complex (TOM70 + HSP90alpha x2 + Cullin 5 + SARS-CoV-2 ORF9b) that researchers in a published study ran on Alphafold2. But the results I got look absolutely nothing like their results. Is this a a result of using ChimeraX? I only know how to use Alphafold using ChimeraX. Does anyone know of a good guide for using Alphafold on protein complexes without using ChimeraX?

  • @professorswenson3504
    @professorswenson3504 6 месяцев назад

    Great, thank you! How does one actually see the RMSD numerical values for each residue?

  • @Ap31659
    @Ap31659 6 месяцев назад

    Thnak you so much for this informative tutorial.

  • @huiruchen7808
    @huiruchen7808 7 месяцев назад

    Hi, thank you for this tutorial. It is instrumental. I have a question. Could you please tell me how to export PAE plot from Chimerax with the label of residue no. in the X and Y axis? Or any method you can think of exporting/visualizing PAE? I think it will be useful to use PAE to present and explain the interaction of the two chains. many thanks!

  • @MehdiSharifiTabar
    @MehdiSharifiTabar 8 месяцев назад

    Great video- Is there any reason you selected 8 as distance between /A and /B (two interacting proteins)? what is the range that we can consider as confident distance? can we go up to 15 ?

  • @phantomcreamer
    @phantomcreamer 8 месяцев назад

    I am guessing that confidence is because the protein you are looking at was published in pdb before alphafold2 was trained. I watched a presentation from the alfafold team and they said that would give a false level of confidence just like what you are showing. Those alpha helices and trimeric alignments should not be that high.

  • @professorswenson3504
    @professorswenson3504 8 месяцев назад

    Can the distances be measured for a trimer or can you only label distances between two proteins at once? Also What does the PAE domain coloring mean? I know the color key for pLDDDT but not for PAE domains.

  • @professorswenson3504
    @professorswenson3504 8 месяцев назад

    Which pallete coloring format is the "Color PAE domains" using? esmfold, alphafold, paecontacts, rainbow?

  • @jiangchao_X
    @jiangchao_X 8 месяцев назад

    thanks, why no .dx file output in my job of PDB2PAR?

  • @huminirose
    @huminirose 9 месяцев назад

    I run command "color bfactor #1 palette alphafold", but I think the color is not so good. How can I modify or redefine the palette alphafold?

  • @ahmedmorsy7577
    @ahmedmorsy7577 9 месяцев назад

    Thank you so much for the great tutorial. What is your standard for increasing or decreasing C-alpha distance to color the structure that is different between the Alphafold prediction and the experimental one?

  • @jamesraymond1158
    @jamesraymond1158 9 месяцев назад

    Absolutlely amazing. I have been using ChimeraX/AlphaFold for over a year. It has sped up research in some fields by an order of magnitude.

  • @wubishetmtadesset4225
    @wubishetmtadesset4225 9 месяцев назад

    Great video for us, the beginners. But I missed the home toolbar ...to say I couldn't see graphic contents for the tasks on the version I am using. Each time I have to go the menu and drop down to find those. Can anybody help how to bring it back? Thanks

  • @wubishetmengistu5874
    @wubishetmengistu5874 9 месяцев назад

    Thanks for sharing.

  • @krupapatel9761
    @krupapatel9761 9 месяцев назад

    Hi, very helpful video. But can please also make a video on how to save this structure in .mmcif or .pdb format. Thank you.

  • @caem747
    @caem747 10 месяцев назад

    Thanks for the helpful video. Is it possible to let AlphaFold predict interactions of two proteins where I already have the .pdb file? Especially if my two proteins would exceed the 1000 residue GPU limit, could this help to circumvent the prediction limitation?

    • @ryhisner
      @ryhisner 5 месяцев назад

      This is a question I very much would like to know the answer to as well.

  • @brooklynn-8163
    @brooklynn-8163 11 месяцев назад

    Once I have the contacts between structure A and B, is there the possibility to get a list of those contacts (to have a better overview)?

  • @lokkaf3526
    @lokkaf3526 Год назад

    I want to predict my vaccine structure. Do I also put the adjuvant sequence or just the epitope protein from MHC 1 AND 2? Any response is appreciated.

  • @leonardosorci
    @leonardosorci Год назад

    Is there a difference in GPU resource access when using pay-as-you-go versus subscription? I wonder because after buying 100 units without a subscription, the A100 was unavailable (although I could select it). Thanks.

  • @pimientopicante3870
    @pimientopicante3870 Год назад

    Does anyone know if you can use ChimeraX with Autodock Vina

  • @pimientopicante3870
    @pimientopicante3870 Год назад

    Does anyone know if you can use ChimeraX with Autodock Vina

  • @electrum310
    @electrum310 Год назад

    Thank you so much.

  • @ivanrodriguezsiordia6520
    @ivanrodriguezsiordia6520 Год назад

    How do you open PAE data from a model created by AlphaColab on Chimera? After I upload the 'predicted_aligned_error_v1.json" JSON file', I get an error saying JSON file 'X' is not AlphaFold predicted aligned error data, expected a top level list PAE file suffix must be ".json" or ".pkl".

    • @huminirose
      @huminirose 9 месяцев назад

      if you are multimer the file should be "scores_rank_001_alphafold2_multimer_v3_model_4_seed_000.json"

  • @LauraMuller-pn9nh
    @LauraMuller-pn9nh Год назад

    How can I save it as a pdb file. I can only save it as py and ipynb, which I cannot open in chimeraX

  • @DidierZerbib
    @DidierZerbib Год назад

    Hi, Very very nice explanations, indeed, I know that this video is not new but I've seen it just today. I have a quetsion, I use version 1.6.1 (2023-05-09) of Chimera X and I would like to know how to proceed to run colabfold (now it is the 1.5.2) there is only the command alphafold on this version, in th ebeginning of your video you said that you modified chimera to do this. So, how to do that is my naive question. Thanks a lot, Didier

  • @RohaanMahmud
    @RohaanMahmud Год назад

    Hey thanks so much for the help, quick question: what is the different between color PAE domain and color pLDDT ?

  • @harisjan6047
    @harisjan6047 Год назад

    My protein is above 3000 Amino acid sequence, and it's full pdb structure is not available, what you recommend which server / tool should I use , please reply?

  • @danielmihailov8794
    @danielmihailov8794 Год назад

    Is it possible to align on one chain but colour all chain relative to their rmsd to chains with the same ID?

    • @SurfaceColor
      @SurfaceColor Год назад

      Yes. Say you aligned on chain A as in the video, and now you want to color chain B by C-alpha RMSD. It is simple if the your B chains all have the same sequence so no sequence alignment is needed -- in that case use command "sequence chain /B" to show the sequence will all the B chains associated, then show the Calpha RMSD header (right click in sequence panel, menu Headers / Ca RMSD), then color as in the video. If the chain B sequences are different then show the sequence for one of the "sequence chain #1/B" then associate the others "sequence associate #2-5/B", then show the Calpha header and proceed as in the video. The "associate" step does a sequence alignment.

    • @danielmihailov8794
      @danielmihailov8794 Год назад

      @@SurfaceColor Amazing, it works perfectly and will save me so much time!!

    • @danielmihailov8794
      @danielmihailov8794 Год назад

      @@SurfaceColor Thanks so much for the help! I just have one more question, is it possible to do this if the chain length is not the same? The sequence chain /A command doesn't work if I have slightly different chain As e.g 3-4 amino acids difference. Is there a way around this? I am aligning on chain X with matchmaker #1/X to #2/X and then using this alignment sequence chain /A doesn't work if chains are not the same. If I use matchmaker #1/A to #2/A show true it works but then the alignment is not fixed for all chains and changes if I do the same for all chains. Thanks so much!

    • @SurfaceColor
      @SurfaceColor Год назад

      @@danielmihailov8794 Right. If there is more than one model with a chain /A and the sequences are different then "sequence chain /A" does not work. That only works if the sequences are identical. If the sequences differ, then you show one of them "sequence chain #1/A" and then associate the other chains with that one by right click on the sequence panel and choosing menu entry Structure / Associations.... Then associate each of the other chain /A sequences. This will do a sequence alignment to match them up and it is ok if the sequences are a bit different. Or maybe easier than using the menu is to use command "sequence associate /A".

  • @remiruedas4501
    @remiruedas4501 Год назад

    Hi, thank you for the tutorial. I can't find the tool "render by attribute" , is there any command line to do that?

    • @SurfaceColor
      @SurfaceColor Год назад

      The render by attribute tool is in ChimeraX version 1.6. You must be using an older ChimeraX.

  • @koyel6069
    @koyel6069 Год назад

    I tried using colab for multimer . I paid for colab pro . Structures, plot everything were done but it's not downloading. ! In one structure (1700 amino acids) , I lost 50 units out of 100. And there is no visible solution to get the zip file. . If you know any solution for it, would u please share .

  • @laurenegan2918
    @laurenegan2918 Год назад

    I never comment, but honestly thank you so much for this! So straightforward and I was about to give up completely on alpha fold!

    • @ucsfchimerax8387
      @ucsfchimerax8387 Год назад

      Glad you found the video useful. ChimeraX uses ColabFold which is an optimized version of AlphaFold and you can also run ColabFold without ChimeraX using their web page colab.research.google.com/github/sokrypton/ColabFold/blob/main/AlphaFold2.ipynb. Setting up AlphaFold on your own computer is a lot of trouble, requiring Linux, Docker, about 3 Tbytes of free disk and days to download databases, and hopefully a high-end Nvidia GPU, and even after all that work it is 10 times slower than ColabFold. So thanks should go to the developers of ColabFold.

  • @user-TengfeiLiu
    @user-TengfeiLiu Год назад

    🎉🎉🎉

  • @NoName-un9fk
    @NoName-un9fk Год назад

    Hi! Great explanation, thanks for showing the error plot function. I have version 1.5 but when I type the command for contacts between the two chains it says 'No residues specified for alphafold contacts'. Could you help me, what am I doing wrong? My guess is that it doesn't recognize that there are two separate chains? Another question: I am not really satisfied with the position in which my protein A is now docked to the other, because I know from literature as well as from experiments I did in the lab that the binding is at a different domain... So would you recommend running alphafold again with some restrictions? Or, if I want try the docking manually: how can I separate the two strands?

    • @ucsfchimerax8387
      @ucsfchimerax8387 Год назад

      The command used in the demonstration is "alphafold contacts /A to /B distance 8" which finds contacts between chain A and chain B. Your data probably uses other chain names (e.g. C and D) and so if you don't modify the command it says no residues were specified. For your second question, if AlphaFold does not predict the complex correctly there are no options to make it give a different result. You could predict each protein separately then open them and move one relative to the other by hand with the "Move model" mouse mode. If you have further questions ask on the ChimeraX mailing list.

  • @ashenafikiroswubshet5342
    @ashenafikiroswubshet5342 Год назад

    Thanks those who built such an amazing program and definitely much helpful for every researchers globally. The very good thing about this software is is no barrier to use it. Non discriminatory at all. Much thankful.

  • @jamesraymond1158
    @jamesraymond1158 Год назад

    Excellent videos. But I don't understand PAE plot. It would be helpful if you said a little more about it. For example, choose some points in the plot and say exactly what they mean

    • @ucsfchimerax8387
      @ucsfchimerax8387 Год назад

      The PAE values are defined by AlphaFold and described in their publications and is not too intuitive. I have a brief explanation here www.rbvi.ucsf.edu/chimerax/data/pae-apr2022/pae.html. Unfortunately the videos reach more people if they are shorter and do not try to cover all the background material since typical viewers have a short attention span. So my aim in future videos is more along the lines of reducing the content so it can benefit more researchers rather than expanding it.

  • @nickinner3118
    @nickinner3118 Год назад

    Thanks so much for this helpful video and clear explanation! I just wonder why you predicted two proteins? Do you think this can predict ligand bind to the protein? Such as to see if ligand bind or not to the target protein? Many thanks

    • @ucsfchimerax8387
      @ucsfchimerax8387 Год назад

      Most proteins function as part of multi-protein complexes, so it is useful to predict complexes of more than one protein. AlphaFold cannot make predictions with ligands, ions, solvent, nucleic acids. It only handles the 20 standard (unmodified) amino acids.

  • @alonsovilca7013
    @alonsovilca7013 Год назад

    Where did u get the experimental file from

  • @LuisRubio278Lab
    @LuisRubio278Lab Год назад

    Thanks for sharing!

  • @hissokaaa3480
    @hissokaaa3480 Год назад

    wow, can't imagine what we could do in the next few years. amazing work.

  • @alexkukreja3509
    @alexkukreja3509 Год назад

    Hi. First, thanks for all of the helpful videos that ChimeraX puts out to use this great software. I really enjoy using it, especially with the Colabfold features added in. Second, is there a way to access the sequence alignments that Colabfold finds for your protein sequences at the beginning of the structure prediction? It would be nice to see which organisms these alignments are coming from and be able to analyze in greater detail the sequence variation.