Marc C. Deller, D.Phil.
marcdeller.com eloratherapeutics.com marc@marcdeller.com GitHub DOI 10.5281/zenodo.21807353 
########     ###    ##    ## ########  ######  
##     ##   ## ##   ###   ##    ##    ##    ## 
##     ##  ##   ##  ####  ##    ##    ##       
########  ##     ## ## ## ##    ##     ######  
##        ######### ##  ####    ##          ## 
##        ##     ## ##   ###    ##    ##    ## 
##        ##     ## ##    ##    ##     ######

PETase ANnotation and Triage System

Nature's solution to a human-made problem, and structural learnings from Nature

PANTS-f4ff41161010

Compost 176 aa · assembly ERZ794970_FASTA_CDS_annotated · contig ERZ794970.89077-NODE-89077-length-532-cov-2.549266_1

Retrieval

E-value2.20e-20
Bitscore60.6
Identity to nearest0.789
Nearest characterisedPLC:A0A1H1SPP7

Structure

Methodesmfold
Mean pLDDT84.8
RMSD to IsPETase9.10 Å
Aligned fraction0.196

Aligned fraction is a length-normalised gemmi superposition statistic, not a true TM-score.

Active site

TriadS70/D120/H150
Ser–His3.04 Å
His–Asp3.03 Å
Cleft width15.78 Å
Cleft depth4.58 Å

Aromatic clamp: PHE151, TYR160, TYR9, TYR94

Structure, superposed on IsPETase

Catalytic triad drawn as ball-and-stick from the measured residues.

Sequence

GTGASPSTYGSLLHHWASHGFVVAAANTSNAGTGEEMLRCLDYLIEENAKSSGTYAGMLNPGRVGASGHSQGGGGTIMAGQDPRVTVTAPIQPYTLGLGHRSSSLSNQNGRMFLMTAGIDAIAAPTLNALPVYNRANVPVFWGELRLAGHFEPVGNGGGYRGPSTAWFRYHLMDDN