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-f0259e7d0feb

Human gut 132 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.292873-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-292873-length-725-cov-1.493827_1

Retrieval

E-value2.90e-08
Bitscore20.8
Identity to nearest0.311
Nearest characterisedEC:A0ABW1CC56

Structure

Methodesmfold
Mean pLDDT89.6
RMSD to IsPETase12.70 Å
Aligned fraction0.121

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

Active site

TriadS30/D78/H111
Ser–His3.19 Å
His–Asp3.09 Å
Cleft width16.47 Å
Cleft depth6.46 Å

Aromatic clamp: PHE73, TRP112, TRP114, TRP37, TYR34

Structure, superposed on IsPETase

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

Sequence

PALSAASKLLDDICAQYPADTSRLYITGVSMGGYGAWDLLLRHPDLFAGAIILCGAGDPSQAAAIAHIPLRLFHGAKDTEVPVSGSREMYQALLDAGANDVQYQEYPDIGHWIWLNAWDEPGLLDWLFSVSK