PROJECT #19307 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: 138,860

Core: 0x22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Wednesday, 30 November 2022 06:13:30

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 Ti
GA102 [GeForce RTX 3090 Ti]
Nvidia GA102 8,221,753 166,059 49.51 0 hrs 29 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 7,529,930 172,047 43.77 0 hrs 33 mins
3 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 6,584,314 158,812 41.46 0 hrs 35 mins
4 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 6,460,486 149,659 43.17 0 hrs 33 mins
5 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 5,271,492 152,265 34.62 0 hrs 42 mins
6 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,757,155 137,388 34.63 0 hrs 42 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,707,007 144,902 32.48 0 hrs 44 mins
8 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 4,340,390 133,952 32.40 0 hrs 44 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 4,097,654 131,872 31.07 0 hrs 46 mins
10 Radeon RX 6800/6800XT/6900XT
Navi 21 [Radeon RX 6800/6800XT/6900XT]
AMD Navi 21 3,926,457 129,793 30.25 0 hrs 48 mins
11 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,772,201 127,182 29.66 0 hrs 49 mins
12 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 3,231,522 120,772 26.76 0 hrs 54 mins
13 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,046,069 119,375 25.52 0 hrs 56 mins
14 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,948,269 116,219 25.37 0 hrs 57 mins
15 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,705,981 114,843 23.56 1 hrs 1 mins
16 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,623,489 123,720 21.21 1 hrs 8 mins
17 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,419,432 119,606 20.23 1 hrs 11 mins
18 GeForce RTX 2070
TU106 [GeForce RTX 2070]
Nvidia TU106 2,023,525 103,194 19.61 1 hrs 13 mins
19 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 1,854,018 100,465 18.45 1 hrs 18 mins
20 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,807,711 100,105 18.06 1 hrs 20 mins
21 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,670,803 118,437 14.11 2 hrs 42 mins
22 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,662,502 107,270 15.50 2 hrs 33 mins
23 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,445,405 111,347 12.98 2 hrs 51 mins
24 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,181,018 89,504 13.20 2 hrs 49 mins
25 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,101,978 83,560 13.19 2 hrs 49 mins
26 Radeon Pro W5700
Navi 10 [Radeon Pro W5700]
AMD Navi 10 1,042,555 83,789 12.44 2 hrs 56 mins
27 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 759,517 78,772 9.64 2 hrs 29 mins
28 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 735,744 74,108 9.93 2 hrs 25 mins
29 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 606,111 68,932 8.79 3 hrs 44 mins
30 Radeon RX 6700/6700 XT/6750 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT/6750 XT / 6800M]
AMD Navi 22 473,003 63,952 7.40 3 hrs 15 mins
31 Radeon RX 6600/6600 XT/6600M
Navi 23 [Radeon RX 6600/6600 XT/6600M]
AMD Navi 23 427,070 75,113 5.69 4 hrs 13 mins
32 RX 470/480/570/580/590
Ellesmere XT [RX 470/480/570/580/590]
Ellesmere XT 361,272 58,632 6.16 4 hrs 54 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Wednesday, 30 November 2022 06:13:30

Rank
Project
CPU Model Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
Make