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-277b4af96f4b

Human gut 115 aa · assembly ERZ24812767_FASTA_predicted_cds · contig ERZ24812767.71838-NODE-71848-length-649-cov-4.392256_1

Retrieval

E-value2.60e-11
Bitscore30.8
Identity to nearest0.301
Nearest characterisedEC:A0A8J3U475

Structure

Methodesmfold
Mean pLDDT95.0
RMSD to IsPETase3.91 Å
Aligned fraction0.117

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

Active site

TriadS13/D61/H93
Ser–His3.15 Å
His–Asp3.17 Å
Cleft width15.42 Å
Cleft depth6.91 Å

Aromatic clamp: PHE100, PHE56, TRP96, TYR20

Structure, superposed on IsPETase

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

Sequence

QVDRNRIYVVGLSMGGMATYDLAVRFPDTFAAAVPICGTVNPVRLADAANVRFRIFHGDADNVVPVEGSREAYRALKNLGAEVEYIEFPGCNHGSWNPAFNYPGFMEWIFAQRKR