PROJECT #19315 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: 139,574

Core: 0x22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Wednesday, 07 December 2022 06:13:21

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
Average
1 Radeon RX 6800/6800XT/6900XT
Navi 21 [Radeon RX 6800/6800XT/6900XT]
AMD Navi 21 3,341,958 122,230 27.34 0 hrs 53 mins
2 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,039,074 115,669 26.27 0 hrs 55 mins
3 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 2,122,259 134,013 15.84 2 hrs 31 mins
4 Radeon RX 6700/6700XT/6800M
Navi 22 XT-XL [Radeon RX 6700/6700XT/6800M]
AMD Navi 22 XT-XL 1,775,491 99,457 17.85 1 hrs 21 mins
5 Radeon RX 6650 XT
Navi 23 [Radeon RX 6650 XT]
AMD Navi 23 1,436,275 92,296 15.56 2 hrs 33 mins
6 Radeon RX 6700/6700 XT/6750 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT/6750 XT / 6800M]
AMD Navi 22 1,377,748 83,506 16.50 1 hrs 27 mins
7 Radeon RX 6600/6600 XT/6600M
Navi 23 [Radeon RX 6600/6600 XT/6600M]
AMD Navi 23 1,093,215 84,461 12.94 2 hrs 51 mins
8 Radeon RX 6600/6600 XT/6600M
Navi 23 XT-XL [Radeon RX 6600/6600 XT/6600M]
AMD Navi 23 XT-XL 1,086,980 84,204 12.91 2 hrs 52 mins
9 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,054,939 83,838 12.58 2 hrs 54 mins
10 RX 5600 OEM/5600XT/5700/5700XT
Navi 10 [RX 5600 OEM/5600XT/5700/5700XT]
Navi 10 971,389 82,178 11.82 2 hrs 2 mins
11 Radeon Pro W5700
Navi 10 [Radeon Pro W5700]
AMD Navi 10 956,513 77,557 12.33 2 hrs 57 mins
12 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 933,662 80,116 11.65 2 hrs 4 mins
13 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 488,449 63,754 7.66 3 hrs 8 mins
14 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 459,862 62,102 7.40 3 hrs 14 mins
15 RX 470/480/570/580/590
Ellesmere XT [RX 470/480/570/580/590]
Ellesmere XT 364,013 58,779 6.19 4 hrs 53 mins
16 RX Vega M GL
Polaris 22 XL [RX Vega M GL]
Polaris 22 XL 166,051 45,367 3.66 7 hrs 33 mins
17 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 165,565 45,336 3.65 7 hrs 34 mins
18 Radeon R9 200 Series
Hawaii [Radeon R9 200 Series]
AMD Hawaii 106,326 39,234 2.71 9 hrs 51 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Wednesday, 07 December 2022 06:13:21

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