PROJECT #19314 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: 139,505

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 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,397,850 123,083 27.61 0 hrs 52 mins
2 Radeon RX 6800/6800XT/6900XT
Navi 21 [Radeon RX 6800/6800XT/6900XT]
AMD Navi 21 3,037,164 117,987 25.74 0 hrs 56 mins
3 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 2,134,837 134,578 15.86 2 hrs 31 mins
4 Radeon RX 6700/6700 XT/6750 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT/6750 XT / 6800M]
AMD Navi 22 1,635,622 97,009 16.86 1 hrs 25 mins
5 Radeon RX 6700/6700XT/6800M
Navi 22 XT-XL [Radeon RX 6700/6700XT/6800M]
AMD Navi 22 XT-XL 1,532,203 90,611 16.91 1 hrs 25 mins
6 Radeon RX 6650 XT
Navi 23 [Radeon RX 6650 XT]
AMD Navi 23 1,329,171 90,368 14.71 2 hrs 38 mins
7 Radeon RX 6600/6600 XT/6600M
Navi 23 [Radeon RX 6600/6600 XT/6600M]
AMD Navi 23 1,186,618 87,227 13.60 2 hrs 46 mins
8 Radeon RX 6600/6600 XT/6600M
Navi 23 XT-XL [Radeon RX 6600/6600 XT/6600M]
AMD Navi 23 XT-XL 1,100,307 85,057 12.94 2 hrs 51 mins
9 Radeon PRO W6600
Navi 23 WKS-XL [Radeon PRO W6600]
AMD Navi 23 WKS-XL 1,085,075 84,543 12.83 2 hrs 52 mins
10 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,026,130 83,019 12.36 2 hrs 57 mins
11 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,013,373 82,692 12.25 2 hrs 58 mins
12 Radeon Pro W5700
Navi 10 [Radeon Pro W5700]
AMD Navi 10 938,604 75,279 12.47 2 hrs 55 mins
13 RX 5500/5500M/Pro 5500M
Navi 14 [RX 5500/5500M/Pro 5500M]
Navi 14 461,912 64,563 7.15 3 hrs 21 mins
14 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 397,727 60,354 6.59 4 hrs 39 mins
15 RX 470/480/570/580/590
Ellesmere XT [RX 470/480/570/580/590]
Ellesmere XT 332,661 53,656 6.20 4 hrs 52 mins
16 Radeon R9 200/HD 7900/8970
Tahiti XT [Radeon R9 200/HD 7900/8970]
AMD Tahiti XT 237,261 51,404 4.62 5 hrs 12 mins
17 RX Vega M GL
Polaris 22 XL [RX Vega M GL]
Polaris 22 XL 161,956 45,022 3.60 7 hrs 40 mins
18 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 161,938 44,836 3.61 7 hrs 39 mins
19 Radeon RX 460/560D
Baffin [Radeon RX 460/560D]
AMD Baffin 113,772 39,940 2.85 8 hrs 26 mins
20 Radeon HD 7800 Series
Pitcairn PRO [Radeon HD 7800 Series]
AMD Pitcairn PRO 102,977 47,095 2.19 11 hrs 59 mins
21 Radeon R9 200 Series
Hawaii [Radeon R9 200 Series]
AMD Hawaii 88,426 36,429 2.43 10 hrs 53 mins
22 Radeon HD 5850
Cypress PRO [Radeon HD 5850]
AMD Cypress PRO 15,566 19,532 0.80 30 hrs 7 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