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-cae63d3b72c0

Human gut 227 aa · assembly ERZ4560321_FASTA_predicted_cds · contig ERZ4560321.142372-Hadza-MoBio-hadza-E-H-G-21-1740--NODE-142372-length-1037-cov-6.002083_1

Retrieval

E-value1.10e-10
Bitscore28.8
Identity to nearest0.300
Nearest characterisedEC:A0A1I0JU31

Structure

Methodesmfold
Mean pLDDT94.2
RMSD to IsPETase14.34 Å
Aligned fraction0.189

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

Active site

TriadS123/D173/H205
Ser–His2.84 Å
His–Asp3.21 Å
Cleft width17.41 Å
Cleft depth4.41 Å

Aromatic clamp: PHE206, TRP130, TRP94, TYR212, TYR47

Structure, superposed on IsPETase

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

Sequence

SLLCAGCGAAAAVPPAGALTAHTEDIGLSYWLYTPQSTGTPKTLVLYLHGGSGKGSDLNAVLEAESLPRFLQEGQLAPDAYVVMPQLPASCKGWSDRTAQLMQLLAVIKAQYPIARTALTGHSMGGTGCWDLAVAHPETFCAAAPLSGSVRLTEQNLTALQSLPVWAVVGSADTIVKPDTSEQFITALQEKNPNAQLTVREGATHFDVPQAYLDSTLGLLDWLTAAR