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-2d991f6f68e8

Human gut 111 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.31137-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-31137-length-4770-cov-3.666951_5

Retrieval

E-value1.60e-08
Bitscore21.6
Identity to nearest0.287
Nearest characterisedEC:A0ABU2KYZ7

Structure

Methodesmfold
Mean pLDDT95.2
RMSD to IsPETase15.91 Å
Aligned fraction0.132

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

Active site

TriadS7/D57/H89
Ser–His3.1 Å
His–Asp3.39 Å
Cleft width10.94 Å
Cleft depth6.78 Å

Aromatic clamp: PHE29, PHE52, TYR6

Structure, superposed on IsPETase

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

Sequence

ISLMGYSMGGTGTVNLAAAYPGYFSKIAFLSGSAINIENTANSLSGTPVWAFVGSEDVIVKPETAIQLVETLKQNGGNAQITVFDGADHIAVPELVFSEYKNSLINWLVGQ