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-d137453554f8

Human gut 241 aa · assembly ERZ4560700_FASTA_predicted_cds · contig ERZ4560700.18203-Hadza-MoBio-hadza-E-H-E-1-1719--NODE-18203-length-7393-cov-3.850875_6

Retrieval

E-value6.60e-09
Bitscore22.9
Identity to nearest0.289
Nearest characterisedPLC:C0ZUA7

Structure

Methodesmfold
Mean pLDDT97.4
RMSD to IsPETase11.64 Å
Aligned fraction0.189

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

Active site

TriadSNone/DNone/HNone
Ser–HisNone Å
His–AspNone Å
Cleft widthNone Å
Cleft depthNone Å

Aromatic clamp:

Structure, superposed on IsPETase

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

Sequence

MKKKIIITISVILGIILGGSLVWSSKSYKPNELAIQALNSDKKIEVKNDKFISFTPKDKEVEKGFIFYPGAGVEPEAYAPICREIALKGYEVVIAKMPLNLAILSPNKADKIISSYNNIKTWAIGGHSLGGVMASKYASNHDDIKAVAFYASYPSNDELKDLDLEVLSLYGEKDGVLNKGNLAKSKENLPSDAKFIEIKGGNHSQFGDYGLQNGDEKASITEEKQFETTANYTIEVLDKIK