Catalytic Site Atlas

30 November 2009

catalytic site atlas Catalytic Site Atlas The catalytic site atlas (CSA) is a database that displays active sites and catalytic residues of enzymes (ref). The database is regularly maintained, but has not been updated since August of this year. The database currently contains 25,537 entries based on 968 literature references.

The site has a number of search options (located at the top of their page) that include PDB, Swiss-Prot code and EC number.
catalytic site atlas search Catalytic Site Atlas
Below is an example of some of the results that are produced by the CSA. The catalytic residue in this case is an aspartate located at position 93. I would like to see the catalytic residues highlighted differently so that they are can be identified quickly.
catalytic site atlas results Catalytic Site Atlas
The CSA also performs a homology search using Psi-BLAST. This information is very helpful if you are looking for evolutionary relationships between proteins (ref).

The CSA help page is really good (although a number of links to it are dead) if you would like more information or are having trouble interpreting the results.

    -How can I get this student out of my office?
    -What can I learn from this student?

    -Why doesn’t this student give me the respect I deserve?
    -How can I treat this student with respect?

    -I teach so that I can do research
    -I teach to help the future of science

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      Happy Thanksgiving

      26 November 2009

      tryptophan Happy Thanksgiving

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      9 Videos by Benchfly

      24 November 2009

      BenchflyTM has videos of protocols, tips and teachings some of which are quite relevant to macromolecular crystallography. The video quality is excellent. I will look forward to watching their future productions even though the buzz intro gives me the creeps.

      How to Calibrate Pipettors
      Timesaving miniprep tips
      Nucleic acid absorbance to concentration
      How to remove static from a scale (not for kids)
      How to perform colony PCR
      Pouring and running an agarose gel
      Tip for loading many gel samples quickly
      Molarity Tip

        We have discussed the controversy regarding the 2009 Nobel Prize in Chemistry that was given for the structure and function of the ribosome. I was also thinking about what a great accomplishment it was and how we could pay tribute.

        Here is the idea: Get together 200 of our closest friends of which many of whom would need to wear spandex and short shorts. We would make it a dance tribute and have people attach a balloon to their head for identification. We would then act out the function of the ribosome to music from the 1970s, you know – flute solos and a lot of cow bell.

        Well, I just found out from Molecule of the Day that this idea has already been done, dang – scooped again. Enjoy.

        Lysozyme

        21 November 2009

        Are you working on lysozyme?

        We have a lot of problems that need a structure.
        HIV
        Cancer
        Diabetes
        Influenza
        Heart Disease
        Multiple Scherlosis
        Tuberculosis
        Alzheimer’s
        Arthritis
        Autism
        Malaria

        We need you.

          I have been to the APS Synchrotron quite a few times and realized that there are a couple tricks of where to sleep, if you don’t stay at the Guest House. I often see newbies trying to do the head on the table approach, but in a rolling chair this can be tricky.
          So what to do?synchrotron conference room Sleeping at the APS Synchrotron

          1) Sleep on the floor
          Pro: plenty of space
          Con: the floor is concrete
          If you are going to go this route then at least sleep on a coat or put your head on a bag (bring a pillow!).

          2) Conference room (located along outer rim of the building)
          Pro: decent space, very thin carpet, darker and less noise than being near the beam lines
          Con: synchrotron couch Sleeping at the APS Synchrotrongroup members may think you have disappeared, if you don’t let them where you are sleeping

          3) Couch
          Pro: located near the beam line and a lot better than the floor
          Con: bright, few around, maybe on the shorter side if you are tall

          I have not been to Brookhaven, but here is a tip from @modernscientist:
          synchrotron brookhaven Sleeping at the APS Synchrotron

            I LOVE old school crystallography. I am guessing this is because I have never done it :)
            Images with film. Hand drawing electron density. Structures with wires. Hardcore.

            I just came across this exhibition entitled “From Atoms to Patterns“.

            You know of any other old school tributes?

              The ultimate list of cryocrystallography and radiation damage, including websites, books, publications and databases. The title and author list of some resources have been shortened for ease of viewing.

              Websites:
              MiTeGen: Technical Notes (Reducing the Mosaicity of Flash-Cooled Crystals)
              CCP4 wiki: Cryo
              Kryger: Flash-Cooling: A Practical Guide
              xtals.org Cryoprotection of delicate crystals.
              Rigaku: 72 min webinar
              Emerald Biosystems: Crystallization Hits
              Hampton Research: Cryo and Cryocrystallography Literature
              Řezáčová: Cryocrystallography of Biological Macromolecules
              UCLA: Cryo-crystallography and Data Collection

              Books:
              Evolving Methods for Macromolecular Crystallography (Macromolecular cryo-crystallography pdf)
              Doublie: Macromolecular Crystallography Protocols: Structure Determination Ultimate List on Cryocrystallography & Radiation Damage (couple of chapters)
              Macromolecular Crystallography Protocols (Vol. 364): Structure Determination

              Publications: (first author: title)
              Barker: Room-temperature scavengers for macromolecular crystallography: increased lifetimes and modified dose dependence of the intensity decay.
              Berejnov: Cryoprotectant concentration & cooling rate on vitrification of aqueous solutions (pdf)
              Chinte: Sample size: an important parameter in flash-cooling macromolecular crystallization solutions
              Fernandez: A cryocooling technique for protein crystals grown by dialysis from volatile solvents
              Gakhar: A possible additional role of mineral oil in successful flash cooling
              Garman: Cryocooling and radiation damage in macromolecular crystallography (pdf)
              Garman: ‘Cool’ crystals: macromolecular cryocrystallography and radiation damage.
              Garman: Cool data: quantity AND quality (pdf)
              Garman: Macromolecular Cryocrystallography (pdf)
              Halle: Biomolecular cryocrystallography: Structural changes during flash-cooling (pdf)
              Hanson: New techniques: macromolecular crystal annealing and cryogenic helium
              Holyoak: Malonate: cryoprotectant & stabilizing solution for salt-grown macromolecular crystals
              Kim: High-pressure cooling of protein crystals without cryoprotectants (pdf)
              Kmetko: Quantifying X-ray radiation damage in protein crystals at cryogenic temperatures (pdf)
              Kriminsk: Flash-cooling and annealing of protein crystals (pdf)
              Massover: Radiation damage to protein specimens from electron beam imaging and diffraction: a mini-review of anti-damage approaches, with special reference to synchrotron X-ray crystallography
              McFerrin: The development and application of a method to quantify the quality of cryoprotectant solutions using standard area-detector X-ray images
              Parkin: Cooling, Mounting, Storage and Transportation of Crystals (pdf)
              Pflugrath: Methods for cooling and mounting protein crystals at cryogenic temperatures
              Ravelli: Radiation damage in macromolecular cryocrystallography (pdf)
              Riboldi-Tunnicliffe: Cryocrystallography with oil – an old idea revived (pdf)
              Rubinson: Cryosalts: suppression of ice formation in macromolecular crystallography (pdf)
              Saraswathi: Effect of stabilizing additives on the structure & hydration of proteins: lysozyme (pdf)
              Warkentin: Hyperquenching for protein cryocrystallography (pdf)
              Yao: Flash-cooling of macromolecular crystals in a capillary to overcome increased mosaicity

              Databases:
              Cryoprotectant Database for Protein Crystals (post)
              Biological Macromolecule Crystallization Database (post)

              Know of any other helpful resources? Then please feel free to share in the comment section!
              Thanks!

                Fred points us to an eighteen minute introductory video on structural biology, but unfortunately the English version is not uploaded onto a video hosting site (the French version is here for my friend Julie). I lack the rights to the video so can’t post the English version myself.

                I would recommend this video to any relatives that glaze over when you describe your job or perhaps to new graduate students. Enjoy.