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-1ed30a615aa8

Human gut 247 aa · assembly ERZ857611_FASTA_predicted_cds · contig ERZ857611.2219-k141-3231_227

Retrieval

E-value2.10e-10
Bitscore27.8
Identity to nearest0.234
Nearest characterisedEC:A0A7W7RJC2

Structure

Methodesmfold
Mean pLDDT96.9
RMSD to IsPETase17.77 Å
Aligned fraction0.181

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

Active site

TriadS130/D178/H207
Ser–His3.25 Å
His–Asp3.07 Å
Cleft width19.01 Å
Cleft depth3.48 Å

Aromatic clamp: PHE100, PHE210, PHE70, TRP183, TYR152, TYR156, TYR186, TYR213, TYR36, TYR71, TYR81

Structure, superposed on IsPETase

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

Sequence

MKNRTKSRWKKIVLGLGLFLVILVIGLTIFIKNSTYQATDSALKISQSATQEKNYDYYTNGQKNDTALIFYPGALVAPASYSEWAQEVATKGYDVYIVHFPLNLAVLAPNAAEQIIKDHPQQNFVVAGHSLGGVMASRFVAENEQRIKGMIYLASYPDEKGALNKQNLPVLSITATNDGVLNWTSYQKAKQFLPKDTQYVSIEGGNHAGFGNYGVQKGDNKATISNEQQQTEISQLIVAWLQSRPNK