PROJECT #19308 RESEARCH FOR MG2-ION-BINDING
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: 181,714
Core: OPENMM_22
Status: Public
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Tuesday, 07 February 2023 06:14:49
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 | 8,901,370 | 267,147 | 33.32 | 0 hrs 43 mins |
2 | GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti] |
Nvidia | GA102 | 7,970,098 | 256,255 | 31.10 | 0 hrs 46 mins |
3 | GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate] |
Nvidia | GA102 | 6,873,621 | 244,196 | 28.15 | 0 hrs 51 mins |
4 | GeForce RTX 3080 GA102 [GeForce RTX 3080] |
Nvidia | GA102 | 5,713,914 | 228,727 | 24.98 | 0 hrs 58 mins |
5 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 5,429,523 | 226,325 | 23.99 | 1 hrs 0 mins |
6 | GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti] |
Nvidia | GA104 | 5,067,885 | 222,577 | 22.77 | 1 hrs 3 mins |
7 | GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448 |
Nvidia | TU102 | 5,055,596 | 221,091 | 22.87 | 1 hrs 3 mins |
8 | GeForce RTX 3070 Lite Hash Rate GA104 [GeForce RTX 3070 Lite Hash Rate] |
Nvidia | GA104 | 4,504,146 | 213,394 | 21.11 | 1 hrs 8 mins |
9 | GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti] |
Nvidia | GA104 | 3,621,903 | 196,699 | 18.41 | 1 hrs 18 mins |
10 | GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate] |
Nvidia | GA104 | 2,622,315 | 175,995 | 14.90 | 2 hrs 37 mins |
11 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 2,133,293 | 103,201 | 20.67 | 1 hrs 10 mins |
12 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 1,944,456 | 160,908 | 12.08 | 2 hrs 59 mins |
13 | Radeon RX 6700/6700 XT/6750 XT / 6800M Navi 22 [Radeon RX 6700/6700 XT/6750 XT / 6800M] |
AMD | Navi 22 | 1,875,984 | 159,267 | 11.78 | 2 hrs 2 mins |
14 | Geforce RTX 3050 GA106 [Geforce RTX 3050] |
Nvidia | GA106 | 1,082,122 | 132,185 | 8.19 | 3 hrs 56 mins |
15 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 1,076,901 | 120,084 | 8.97 | 3 hrs 41 mins |
16 | Radeon Pro W5700 Navi 10 [Radeon Pro W5700] |
AMD | Navi 10 | 1,019,989 | 121,351 | 8.41 | 3 hrs 51 mins |
17 | Tesla M40 GM200GL [Tesla M40] 6844 |
Nvidia | GM200GL | 989,399 | 128,065 | 7.73 | 3 hrs 6 mins |
18 | GeForce GTX 980 GM204 [GeForce GTX 980] 4612 |
Nvidia | GM204 | 912,831 | 124,790 | 7.31 | 3 hrs 17 mins |
19 | GeForce GTX 970 GM204 [GeForce GTX 970] 3494 |
Nvidia | GM204 | 593,438 | 111,811 | 5.31 | 5 hrs 31 mins |
20 | Radeon RX Vega M XL [Radeon RX Vega M XL] |
AMD | Vega | 189,629 | 74,042 | 2.56 | 9 hrs 22 mins |
21 | GeForce GT 1030 GP108 [GeForce GT 1030] |
Nvidia | GP108 | 124,503 | 64,329 | 1.94 | 12 hrs 24 mins |
22 | Quadro M2000 GM206GL [Quadro M2000] |
Nvidia | GM206GL | 115,510 | 73,657 | 1.57 | 15 hrs 18 mins |
23 | Radeon R9 200 Series Hawaii [Radeon R9 200 Series] |
AMD | Hawaii | 111,572 | 62,660 | 1.78 | 13 hrs 29 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Tuesday, 07 February 2023 06:14:49
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
---|