PROJECT #18904 RESEARCH FOR UNSPECIFIED
FOLDING PERFORMANCE PROFILE
PROJECT SUMMARY
Atomistic insights into AAA+ protein superfamily ATPases Associated with diverse cellular Activities (AAA+) comprise a superfamily of proteins that perform a large variety of functions essential to cell physiology, including control of protein homeostasis, DNA replication, recombination, chromatin remodeling, ribosomal RNA processing, molecular targeting, organelle biogenesis, and membrane fusion.
Members of this superfamily are defined by the presence of what is termed the AAA+ domain containing the canonical Walker A and B motifs required for ATP binding and hydrolysis.
Typically, genomes encode approximately ten to several hundred AAA+ family members, each of which is thought to be adapted to specific functional niches that necessitate precise mechanisms of substrate recognition and processing.
The striking adaptive radiation of AAA+ proteins to operate in diverse settings illustrates the versatile utility of the AAA+ domain.
AAA+ proteins typically form hexameric complexes and act as motors to remodel other proteins, DNA/RNA, or multicomponent complexes.
Indeed, many chaperones and ATP-dependent proteases are or have subunits that belong to this superfamily.
Rubisco activase (Rca) belongs to the AAA+ superfamily of proteins and it hydrolyzes ATP to ADP.
The complementarity of nucleotide-binding sites between AAA+ interfaces, the mechanism of ATP hydrolysis and the conformational changes activating or deactivating their ATP-binding pocket ensure a functional cycle that creates mechanical force to promote remodeling of substrates.
In this study, we will investigated the ADP/ATP and Mg2+ ion binding mechanism in Rca monomer and homodimers using extensive longtime scale simulations.
We will also try to find the binding pathway for ADP and ATP.
Simulations will also helps to predicts the crucial residues that involved in this binding process..
PROJECT INFO
Manager(s): Rabindranath Paul
Institution: University of Illinois at Urbana-Champaign
PROJECT WORK UNIT SUMMARY
Atoms: 138,595
Core: OPENMM_22
Status: Public
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Monday, 16 May 2022 12:52:29
|
Rank Project |
Model Name Folding@Home Identifier |
Make Brand |
GPU Model |
PPD Average |
Points WU Average |
WUs Day Average |
WU Time Average |
|---|---|---|---|---|---|---|---|
| 1 | GeForce RTX 3090 GA102 [GeForce RTX 3090] |
Nvidia | GA102 | 8,376,542 | 159,294 | 52.59 | 0 hrs 27 mins |
| 2 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,260,882 | 103,345 | 21.88 | 1 hrs 6 mins |
| 3 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 2,118,493 | 98,908 | 21.42 | 1 hrs 7 mins |
| 4 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 1,842,438 | 110,603 | 16.66 | 1 hrs 26 mins |
| 5 | GeForce GTX 1650 TU117 [GeForce GTX 1650] |
Nvidia | TU117 | 351,479 | 55,172 | 6.37 | 4 hrs 46 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Monday, 16 May 2022 12:52:29
|
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
|---|
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